2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene

C98H87Cl3F5I4N19 — CID 172963385

IUPAC2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene
SMILESC#CC1(C)CC1.CCCc1cccc(I)c1.CCN(C1=N/C(=N/N)Cc2ccc(F)cc21)c1cccc(I)c1.CCN(c1cccc(C#CC2(C)CC2)c1)c1nc2nnc(C)n2c2ccc(F)cc12.CCN(c1cccc(I)c1)c1nc(Cl)nc2ccc(F)cc12.CCN(c1cccc(I)c1)c1nc2nnc(C)n2c2ccc(F)cc12.Fc1ccc2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C24H22FN5.C18H15FIN5.C17H16FIN4.C16H12ClFIN3.C9H11I.C8H3Cl2FN2.C6H8/c1-4-29(19-7-5-6-17(14-19)10-11-24(3)12-13-24)22-20-15-18(25)8-9-21(20)30-16(2)27-28-23(30)26-22;1-3-24(14-6-4-5-13(20)10-14)17-15-9-12(19)7-8-16(15)25-11(2)22-23-18(25)21-17;1-2-23(14-5-3-4-13(19)10-14)17-15-9-12(18)7-6-11(15)8-16(21-17)22-20;1-2-22(12-5-3-4-11(19)9-12)15-13-8-10(18)6-7-14(13)20-16(17)21-15;1-2-4-8-5-3-6-9(10)7-8;9-7-5-3-4(11)1-2-6(5)12-8(10)13-7;1-3-6(2)4-5-6/h5-9,14-15H,4,12-13H2,1-3H3;4-10H,3H2,1-2H3;3-7,9-10H,2,8,20H2,1H3;3-9H,2H2,1H3;3,5-7H,2,4H2,1H3;1-3H;1H,4-5H2,2H3/b;;22-16+;;;;
InChIKeyFFYAJMALIICUJM-VNIBLARKSA-N
MW2239.87 g/mol
LogP25.98
Rot. Bonds13

About 2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene

2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene (PubChem CID 172963385) has the molecular formula C98H87Cl3F5I4N19 and a molecular weight of 2239.87 g/mol. Its IUPAC name is 2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene.

Molecular Properties

Compound Name2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene
PubChem CID172963385
Molecular FormulaC98H87Cl3F5I4N19
Molecular Weight2239.87 g/mol
Exact Mass2237.26
IUPAC Name2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene
SMILESC#CC1(C)CC1.CCCc1cccc(I)c1.CCN(C1=N/C(=N/N)Cc2ccc(F)cc21)c1cccc(I)c1.CCN(c1cccc(C#CC2(C)CC2)c1)c1nc2nnc(C)n2c2ccc(F)cc12.CCN(c1cccc(I)c1)c1nc(Cl)nc2ccc(F)cc12.CCN(c1cccc(I)c1)c1nc2nnc(C)n2c2ccc(F)cc12.Fc1ccc2nc(Cl)nc(Cl)c2c1
InChIInChI=1S/C24H22FN5.C18H15FIN5.C17H16FIN4.C16H12ClFIN3.C9H11I.C8H3Cl2FN2.C6H8/c1-4-29(19-7-5-6-17(14-19)10-11-24(3)12-13-24)22-20-15-18(25)8-9-21(20)30-16(2)27-28-23(30)26-22;1-3-24(14-6-4-5-13(20)10-14)17-15-9-12(19)7-8-16(15)25-11(2)22-23-18(25)21-17;1-2-23(14-5-3-4-13(19)10-14)17-15-9-12(18)7-6-11(15)8-16(21-17)22-20;1-2-22(12-5-3-4-11(19)9-12)15-13-8-10(18)6-7-14(13)20-16(17)21-15;1-2-4-8-5-3-6-9(10)7-8;9-7-5-3-4(11)1-2-6(5)12-8(10)13-7;1-3-6(2)4-5-6/h5-9,14-15H,4,12-13H2,1-3H3;4-10H,3H2,1-2H3;3-7,9-10H,2,8,20H2,1H3;3-9H,2H2,1H3;3,5-7H,2,4H2,1H3;1-3H;1H,4-5H2,2H3/b;;22-16+;;;;
InChIKeyFFYAJMALIICUJM-VNIBLARKSA-N
XLogP25.98
TPSA201.42 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds13
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002239.87
LogP ≤ 525.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene with MolForge

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Related Compounds

2-[2-[2-[1-(8-chloro-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-quinolin-5-yl]ethynyl]cyclopropyl]-5-(5-cyclopropyl-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-10-ium-8-amine
CID 156800715
6-chloro-7-fluoro-1-methyl-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
CID 166549406
N-(2,2-difluoroethyl)-N-[3-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-5-fluorophenyl]-6,7-difluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2,2-difluoroethyl)-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2,2-difluoroethyl)-N-[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]-6,7-difluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 167543225
5-[5-(2-cyclopropylethynyl)-3,4-dihydro-2H-quinolin-1-yl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;5-[5-[2-[1-(1,1-difluoroethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-[1,2,4]triazolo[4,3-a]quinazolin-1-amine;5-[5-(3,3-dimethylbut-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-9-fluoro-[1,2,4]triazolo[4,3-a]quinazoline
CID 167545403
4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-2-chloro-6-fluoroquinazoline;5-(4-bromo-3,4-dihydro-2H-quinolin-1-yl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;[4-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6-fluoroquinazolin-2-yl]hydrazine;5-bromo-1,2,3,4-tetrahydroquinoline;2,4-dichloro-6-fluoroquinazoline;1-ethynyl-1-(trifluoromethyl)cyclopropane;7-fluoro-1-methyl-5-[5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
CID 167564404
sodium;8-chloro-N-(3-fluoro-5-iodophenyl)-1-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;8-chloro-N-[3-fluoro-5-[2-[1-(trifluoromethyl)cyclopropyl]ethynyl]phenyl]-1-methyl-N-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;deuterio(fluoro)methane;2,7-dichloro-N-(3-fluoro-5-iodophenyl)-N-(2,2,2-trifluoroethyl)quinazolin-4-amine;1-ethynyl-1-(trifluoromethyl)cyclopropane;3-fluoro-5-iodoaniline;1-fluoro-3-iodo-5-(3,3,3-trifluoropropyl)benzene;hydride;2,4,7-trichloroquinazoline
CID 167573911
2-(aminomethyl)-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2-chloro-N-ethyl-5,6-difluoro-N-(3-fluoro-5-iodophenyl)quinazolin-4-amine;2,4-dichloro-5,6-difluoroquinazoline;N-ethyl-6,7-difluoro-N-(3-fluoro-5-iodophenyl)-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-3-fluoro-5-iodoaniline;1-ethynyl-1-methylcyclopropane
CID 167645659
8-chloro-N-[3-(3,3-dimethylbut-1-ynyl)-5-fluorophenyl]-N-ethyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-(2,2-difluoroethyl)-6,7-difluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-N-[3-fluoro-5-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine
CID 167655568
5-[5-(3,3-dimethylbut-1-ynyl)-3,4-dihydro-2H-quinolin-1-yl]-6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;6-fluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline;7-fluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline;4-[1-(6-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-yl)-3,4-dihydro-2H-quinolin-5-yl]-2-methylbut-3-yn-2-ol
CID 167684961
2-(aminomethyl)-N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;3-bromo-N-(2,2-difluoroethyl)-2-fluoroaniline;N-(3-bromo-2-fluorophenyl)-2-chloro-N-(2,2-difluoroethyl)-6-fluoroquinazolin-4-amine;N-(3-bromo-2-fluorophenyl)-N-(2,2-difluoroethyl)-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;2,4-dichloro-6-fluoroquinazoline;N-(2,2-difluoroethyl)-N-[3-[2-[1-(difluoromethyl)cyclopropyl]ethynyl]-2-fluorophenyl]-7-fluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-(difluoromethyl)-1-ethynylcyclopropane
CID 167707097
(E)-[1-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6,8-difluoro-4H-isoquinolin-3-ylidene]hydrazine;5-(5-bromo-3,4-dihydro-2H-quinolin-1-yl)-6,8-difluoro-1-methyl-[1,2,4]triazolo[4,3-a]quinazoline;6,8-difluoro-1-methyl-5-[5-[2-(1-methylcyclopropyl)ethynyl]-3,4-dihydro-2H-quinolin-1-yl]-[1,2,4]triazolo[4,3-a]quinazoline
CID 172958515

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene?
The IUPAC name of 2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene (CID 172963385) is 2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene.
What is the SMILES notation for 2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene?
The canonical SMILES for 2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene is C#CC1(C)CC1.CCCc1cccc(I)c1.CCN(C1=N/C(=N/N)Cc2ccc(F)cc21)c1cccc(I)c1.CCN(c1cccc(C#CC2(C)CC2)c1)c1nc2nnc(C)n2c2ccc(F)cc12.CCN(c1cccc(I)c1)c1nc(Cl)nc2ccc(F)cc12.CCN(c1cccc(I)c1)c1nc2nnc(C)n2c2ccc(F)cc12.Fc1ccc2nc(Cl)nc(Cl)c2c1.
What is the InChIKey of 2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene?
The InChIKey is FFYAJMALIICUJM-VNIBLARKSA-N. The full InChI is InChI=1S/C24H22FN5.C18H15FIN5.C17H16FIN4.C16H12ClFIN3.C9H11I.C8H3Cl2FN2.C6H8/c1-4-29(19-7-5-6-17(14-19)10-11-24(3)12-13-24)22-20-15-18(25)8-9-21(20)30-16(2)27-28-23(30)26-22;1-3-24(14-6-4-5-13(20)10-14)17-15-9-12(19)7-8-16(15)25-11(2)22-23-18(25)21-17;1-2-23(14-5-3-4-13(19)10-14)17-15-9-12(18)7-6-11(15)8-16(21-17)22-20;1-2-22(12-5-3-4-11(19)9-12)15-13-8-10(18)6-7-14(13)20-16(17)21-15;1-2-4-8-5-3-6-9(10)7-8;9-7-5-3-4(11)1-2-6(5)12-8(10)13-7;1-3-6(2)4-5-6/h5-9,14-15H,4,12-13H2,1-3H3;4-10H,3H2,1-2H3;3-7,9-10H,2,8,20H2,1H3;3-9H,2H2,1H3;3,5-7H,2,4H2,1H3;1-3H;1H,4-5H2,2H3/b;;22-16+;;;;.
What are the key properties of 2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene?
2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene has a molecular weight of 2239.87 g/mol, XLogP of 25.98, 13 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-ethyl-6-fluoro-N-(3-iodophenyl)quinazolin-4-amine;2,4-dichloro-6-fluoroquinazoline;(3E)-N-ethyl-7-fluoro-3-hydrazinylidene-N-(3-iodophenyl)-4H-isoquinolin-1-amine;N-ethyl-7-fluoro-N-(3-iodophenyl)-1-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;N-ethyl-7-fluoro-1-methyl-N-[3-[2-(1-methylcyclopropyl)ethynyl]phenyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-amine;1-ethynyl-1-methylcyclopropane;1-iodo-3-propylbenzene is sourced from PubChem (CID 172963385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).