N-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

C126H138ClFN8O7 — CID 158962291

IUPACN-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5)cc(C)nc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5C(C)C)ccnc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)Nc3ccc(Cl)cc3F)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)Nc3ccc(OC)cc3)cc2)CC1
InChIInChI=1S/C33H36N2O.C32H38N2O3.C31H32N2O.C30H32ClFN2O2/c1-4-23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-18-29-30(19-20-34-32(29)21-27)33(36)35-31-8-6-5-7-28(31)22(2)3;1-4-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-19-30-31(20-26)37-28(5-2)21-34(30)32(35)33-27-15-17-29(36-3)18-16-27;1-3-22-9-11-23(12-10-22)24-13-15-25(16-14-24)26-17-18-28-29(19-21(2)32-30(28)20-26)31(34)33-27-7-5-4-6-8-27;1-3-20-4-6-21(7-5-20)22-8-10-23(11-9-22)24-12-15-28-29(16-24)36-19(2)18-34(28)30(35)33-27-14-13-25(31)17-26(27)32/h5-8,13-24H,4,9-12H2,1-3H3,(H,35,36);10-20,22-23,28H,4-9,21H2,1-3H3,(H,33,35);4-8,13-20,22-23H,3,9-12H2,1-2H3,(H,33,34);8-17,19-21H,3-7,18H2,1-2H3,(H,33,35)
InChIKeyJMTRJQPIVHZWMS-UHFFFAOYSA-N
MW1930.99 g/mol
LogP34.01
Rot. Bonds21

About N-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide

N-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (PubChem CID 158962291) has the molecular formula C126H138ClFN8O7 and a molecular weight of 1930.99 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
PubChem CID158962291
Molecular FormulaC126H138ClFN8O7
Molecular Weight1930.99 g/mol
Exact Mass1929.04
IUPAC NameN-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide
SMILESCCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5)cc(C)nc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5C(C)C)ccnc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)Nc3ccc(Cl)cc3F)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)Nc3ccc(OC)cc3)cc2)CC1
InChIInChI=1S/C33H36N2O.C32H38N2O3.C31H32N2O.C30H32ClFN2O2/c1-4-23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-18-29-30(19-20-34-32(29)21-27)33(36)35-31-8-6-5-7-28(31)22(2)3;1-4-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-19-30-31(20-26)37-28(5-2)21-34(30)32(35)33-27-15-17-29(36-3)18-16-27;1-3-22-9-11-23(12-10-22)24-13-15-25(16-14-24)26-17-18-28-29(19-21(2)32-30(28)20-26)31(34)33-27-7-5-4-6-8-27;1-3-20-4-6-21(7-5-20)22-8-10-23(11-9-22)24-12-15-28-29(16-24)36-19(2)18-34(28)30(35)33-27-14-13-25(31)17-26(27)32/h5-8,13-24H,4,9-12H2,1-3H3,(H,35,36);10-20,22-23,28H,4-9,21H2,1-3H3,(H,33,35);4-8,13-20,22-23H,3,9-12H2,1-2H3,(H,33,34);8-17,19-21H,3-7,18H2,1-2H3,(H,33,35)
InChIKeyJMTRJQPIVHZWMS-UHFFFAOYSA-N
XLogP34.01
TPSA176.35 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms143
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001930.99
LogP ≤ 534.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide with MolForge

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Related Compounds

3-[[2-[2,4-dichloro-3-[[4-(dimethylamino)-2-methylquinolin-8-yl]oxymethyl]-N-methylanilino]-2-oxoethyl]carbamoylamino]-N-pyridin-4-ylbenzamide;hydrochloride
CID 45261026
3-[3-({[2,4-Dichloro-3-(4-dimethylamino-2-methyl-quinolin-8-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-ureido]-N-pyridin-4-yl-benzamide; Trihydrochloride
CID 19603349
4-benzylsulfonyl-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine;N-(2,4-difluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 158020602
7-[4-[4-(5-amino-5-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;azane;7-[4-(4-ethylcyclohexyl)phenyl]-N-hexyl-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-phenylethyl)quinoline-4-carboxamide;N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(4-imino-2-oxopentyl)cyclohexyl]phenyl]-2-methylquinoline-4-carboxamide;methane
CID 158041874
7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-ethylphenyl)-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;6-[4-(4-ethylcyclohexyl)phenyl]-4-oxo-N-phenyl-2,3-dihydroquinoline-1-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenyl-2-propan-2-yl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-phenylquinoline-4-carboxamide
CID 158333534
N-(2-chlorophenyl)-2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 158747947
N-[4-fluoro-2-(trifluoromethyl)phenyl]-7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-phenylquinoline-4-carboxamide;7-[4-[4-(2-hydroxyprop-2-enyl)cyclohexyl]phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
CID 160667843
7-[4-(4-ethylcyclohexyl)phenyl]-N-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylquinolin-1-ium-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-[2-(4-methylphenyl)ethyl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(4-phenylbutyl)quinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-(3-phenylpropyl)quinoline-4-carboxamide;hydroxide
CID 161034918
N-[3-[4-(aziridine-1-carbonyl)phenyl]-4-methylphenyl]-3-(dimethylamino)benzamide;N-[3-(1,3-benzodioxol-5-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;2-chloro-N-(3-isoquinolin-7-yl-4-methylphenyl)-6-methylpyridine-4-carboxamide;1-(2-ethoxyphenyl)-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-(3-isoquinolin-7-yl-4-methylphenyl)-3-(2-methoxyphenyl)urea
CID 161682717
3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-methyl-N-pyridin-3-ylbenzamide
CID 9939524
4-[3-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxopropyl]-N-(pyridin-2-ylmethyl)benzamide
CID 19603204
4-[[2-[2,4-dichloro-N-methyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]-2-oxoethyl]carbamoylamino]-N-(pyridin-4-ylmethyl)benzamide
CID 19603217

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide (CID 158962291) is N-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is CCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5)cc(C)nc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(C(=O)Nc5ccccc5C(C)C)ccnc4c3)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(C)CN4C(=O)Nc3ccc(Cl)cc3F)cc2)CC1.CCC1CCC(c2ccc(-c3ccc4c(c3)OC(CC)CN4C(=O)Nc3ccc(OC)cc3)cc2)CC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
The InChIKey is JMTRJQPIVHZWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O.C32H38N2O3.C31H32N2O.C30H32ClFN2O2/c1-4-23-9-11-24(12-10-23)25-13-15-26(16-14-25)27-17-18-29-30(19-20-34-32(29)21-27)33(36)35-31-8-6-5-7-28(31)22(2)3;1-4-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-19-30-31(20-26)37-28(5-2)21-34(30)32(35)33-27-15-17-29(36-3)18-16-27;1-3-22-9-11-23(12-10-22)24-13-15-25(16-14-24)26-17-18-28-29(19-21(2)32-30(28)20-26)31(34)33-27-7-5-4-6-8-27;1-3-20-4-6-21(7-5-20)22-8-10-23(11-9-22)24-12-15-28-29(16-24)36-19(2)18-34(28)30(35)33-27-14-13-25(31)17-26(27)32/h5-8,13-24H,4,9-12H2,1-3H3,(H,35,36);10-20,22-23,28H,4-9,21H2,1-3H3,(H,33,35);4-8,13-20,22-23H,3,9-12H2,1-2H3,(H,33,34);8-17,19-21H,3-7,18H2,1-2H3,(H,33,35).
What are the key properties of N-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide?
N-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide has a molecular weight of 1930.99 g/mol, XLogP of 34.01, 21 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-2,3-dihydro-1,4-benzoxazine-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-2-methyl-N-phenylquinoline-4-carboxamide;7-[4-(4-ethylcyclohexyl)phenyl]-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide;2-ethyl-7-[4-(4-ethylcyclohexyl)phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzoxazine-4-carboxamide is sourced from PubChem (CID 158962291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).