6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

C144H109Cl7F3N41O5 — CID 167571839

IUPAC6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
SMILESC=C1CCc2cc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]3)ccc2N1.C=C1CCc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]c3F)ccc2N1.C=C1CCc2cc(-c3nc(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)ccc2N1.C=C1CCc2cc(-c3nc(F)c(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]3)ccc2N1.C=C1CCc2cc(-c3ncc(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]3)ccc2N1
InChIInChI=1S/C30H22Cl2FN7O.C30H23Cl2N7O.2C28H21ClFN9O.C28H22ClN9O/c1-14-2-3-15-8-16(4-6-22(15)34-14)27-29(33)36-30(35-27)28-21-12-20(21)24-9-17(10-26(41)40(24)28)19-11-18(31)5-7-23(19)39-13-25(32)37-38-39;1-15-2-3-16-8-17(4-6-23(16)34-15)24-13-33-30(35-24)29-22-12-21(22)26-9-18(10-28(40)39(26)29)20-11-19(31)5-7-25(20)38-14-27(32)36-37-38;1-13-2-3-14-8-15(4-6-20(14)32-13)27-34-24(26(30)35-27)25-17-10-18(17)28-33-21(11-23(40)39(25)28)19-9-16(29)5-7-22(19)38-12-31-36-37-38;1-13-2-3-14-8-15(4-6-20(14)32-13)24-26(30)35-27(34-24)25-17-10-18(17)28-33-21(11-23(40)39(25)28)19-9-16(29)5-7-22(19)38-12-31-36-37-38;1-14-2-3-15-8-16(4-6-21(15)32-14)27-30-12-23(33-27)26-18-10-19(18)28-34-22(11-25(39)38(26)28)20-9-17(29)5-7-24(20)37-13-31-35-36-37/h4-11,13,20-21,28,34H,1-3,12H2,(H,35,36);4-11,13-14,21-22,29,34H,1-3,12H2,(H,33,35);2*4-9,11-12,17-18,25,32H,1-3,10H2,(H,34,35);4-9,11-13,18-19,26,32H,1-3,10H2,(H,30,33)
InChIKeyFZVMUHCRMVWADE-UHFFFAOYSA-N
MW2798.90 g/mol
LogP26.68
Rot. Bonds20

About 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one

6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (PubChem CID 167571839) has the molecular formula C144H109Cl7F3N41O5 and a molecular weight of 2798.90 g/mol. Its IUPAC name is 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one.

Molecular Properties

Compound Name6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
PubChem CID167571839
Molecular FormulaC144H109Cl7F3N41O5
Molecular Weight2798.90 g/mol
Exact Mass2793.73
IUPAC Name6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
SMILESC=C1CCc2cc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]3)ccc2N1.C=C1CCc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]c3F)ccc2N1.C=C1CCc2cc(-c3nc(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)ccc2N1.C=C1CCc2cc(-c3nc(F)c(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]3)ccc2N1.C=C1CCc2cc(-c3ncc(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]3)ccc2N1
InChIInChI=1S/C30H22Cl2FN7O.C30H23Cl2N7O.2C28H21ClFN9O.C28H22ClN9O/c1-14-2-3-15-8-16(4-6-22(15)34-14)27-29(33)36-30(35-27)28-21-12-20(21)24-9-17(10-26(41)40(24)28)19-11-18(31)5-7-23(19)39-13-25(32)37-38-39;1-15-2-3-16-8-17(4-6-23(16)34-15)24-13-33-30(35-24)29-22-12-21(22)26-9-18(10-28(40)39(26)29)20-11-19(31)5-7-25(20)38-14-27(32)36-37-38;1-13-2-3-14-8-15(4-6-20(14)32-13)27-34-24(26(30)35-27)25-17-10-18(17)28-33-21(11-23(40)39(25)28)19-9-16(29)5-7-22(19)38-12-31-36-37-38;1-13-2-3-14-8-15(4-6-20(14)32-13)24-26(30)35-27(34-24)25-17-10-18(17)28-33-21(11-23(40)39(25)28)19-9-16(29)5-7-22(19)38-12-31-36-37-38;1-14-2-3-15-8-16(4-6-21(15)32-14)27-30-12-23(33-27)26-18-10-19(18)28-34-22(11-25(39)38(26)28)20-9-17(29)5-7-24(20)37-13-31-35-36-37/h4-11,13,20-21,28,34H,1-3,12H2,(H,35,36);4-11,13-14,21-22,29,34H,1-3,12H2,(H,33,35);2*4-9,11-12,17-18,25,32H,1-3,10H2,(H,34,35);4-9,11-13,18-19,26,32H,1-3,10H2,(H,30,33)
InChIKeyFZVMUHCRMVWADE-UHFFFAOYSA-N
XLogP26.68
TPSA544.44 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds20
Heavy Atoms200
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002798.90
LogP ≤ 526.68
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Analyze 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167607340
9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-fluoro-2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-fluoro-4-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[2-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[5-(3-methyl-1,2-benzoxazol-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167666866
(1aS,2S,7bR)-6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167222758
6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-1,4-dihydro-3,1-benzoxazin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167627406
6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-1,4-dihydro-3,1-benzoxazin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167627408
9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[5-(5-chloro-2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
CID 167628950
6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(3-fluoro-4-methylphenyl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-(2-methylidene-1,3-dihydroindol-5-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(tetrazol-1-yl)phenyl]-2-[5-[6-methyl-2-(trifluoromethyl)-3-pyridinyl]-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(trifluoromethoxy)phenyl]-2-[5-(2-fluoro-6-methyl-3-pyridinyl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167681938
4-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-1H-imidazol-5-yl]-2-fluorobenzonitrile
CID 167066969
7-[2-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-5-fluoro-1H-imidazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 167066791
6-[5-chloro-2-[4-(trifluoromethyl)triazol-1-yl]phenyl]-2-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one
CID 167066869
7-[5-[6-[5-chloro-2-(tetrazol-1-yl)phenyl]-4-oxo-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-2-yl]-1H-imidazol-2-yl]-4H-1,4-benzoxazin-3-one
CID 167066535
9-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-5-[4-(5-chloro-2-oxo-3,4-dihydro-1H-quinolin-6-yl)-5-fluoro-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one
CID 167066961

Frequently Asked Questions

What is the IUPAC name of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The IUPAC name of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one (CID 167571839) is 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one.
What is the SMILES notation for 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The canonical SMILES for 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is C=C1CCc2cc(-c3cnc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]3)ccc2N1.C=C1CCc2cc(-c3nc(C4C5CC5c5cc(-c6cc(Cl)ccc6-n6cc(Cl)nn6)cc(=O)n54)[nH]c3F)ccc2N1.C=C1CCc2cc(-c3nc(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]c3F)ccc2N1.C=C1CCc2cc(-c3nc(F)c(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]3)ccc2N1.C=C1CCc2cc(-c3ncc(C4C5CC5c5nc(-c6cc(Cl)ccc6-n6cnnn6)cc(=O)n54)[nH]3)ccc2N1.
What is the InChIKey of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
The InChIKey is FZVMUHCRMVWADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Cl2FN7O.C30H23Cl2N7O.2C28H21ClFN9O.C28H22ClN9O/c1-14-2-3-15-8-16(4-6-22(15)34-14)27-29(33)36-30(35-27)28-21-12-20(21)24-9-17(10-26(41)40(24)28)19-11-18(31)5-7-23(19)39-13-25(32)37-38-39;1-15-2-3-16-8-17(4-6-23(16)34-15)24-13-33-30(35-24)29-22-12-21(22)26-9-18(10-28(40)39(26)29)20-11-19(31)5-7-25(20)38-14-27(32)36-37-38;1-13-2-3-14-8-15(4-6-20(14)32-13)27-34-24(26(30)35-27)25-17-10-18(17)28-33-21(11-23(40)39(25)28)19-9-16(29)5-7-22(19)38-12-31-36-37-38;1-13-2-3-14-8-15(4-6-20(14)32-13)24-26(30)35-27(34-24)25-17-10-18(17)28-33-21(11-23(40)39(25)28)19-9-16(29)5-7-22(19)38-12-31-36-37-38;1-14-2-3-15-8-16(4-6-21(15)32-14)27-30-12-23(33-27)26-18-10-19(18)28-34-22(11-25(39)38(26)28)20-9-17(29)5-7-24(20)37-13-31-35-36-37/h4-11,13,20-21,28,34H,1-3,12H2,(H,35,36);4-11,13-14,21-22,29,34H,1-3,12H2,(H,33,35);2*4-9,11-12,17-18,25,32H,1-3,10H2,(H,34,35);4-9,11-13,18-19,26,32H,1-3,10H2,(H,30,33).
What are the key properties of 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one?
6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one has a molecular weight of 2798.90 g/mol, XLogP of 26.68, 20 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;6-[5-chloro-2-(4-chlorotriazol-1-yl)phenyl]-2-[5-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-1,1a,2,7b-tetrahydrocyclopropa[a]indolizin-4-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[4-fluoro-2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[5-fluoro-4-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-2-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one;9-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-[2-(2-methylidene-3,4-dihydro-1H-quinolin-6-yl)-1H-imidazol-5-yl]-6,10-diazatricyclo[4.4.0.02,4]deca-1(10),8-dien-7-one is sourced from PubChem (CID 167571839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).