1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide

C33H27Cl2F6N3O6S — CID 87285085

IUPAC1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide
SMILESCc1cc(CS(=O)(=O)NC(=O)C2(c3c(Cl)cccc3Cl)CC2)ccc1C1NC(OCC(F)(F)F)C2=C1C(=O)C(OCC(F)(F)F)c1cccnc12
InChIInChI=1S/C33H27Cl2F6N3O6S/c1-16-12-17(13-51(47,48)44-30(46)31(9-10-31)24-20(34)5-2-6-21(24)35)7-8-18(16)26-22-23(29(43-26)50-15-33(39,40)41)25-19(4-3-11-42-25)28(27(22)45)49-14-32(36,37)38/h2-8,11-12,26,28-29,43H,9-10,13-15H2,1H3,(H,44,46)
InChIKeyFLXAWVFPTQPYPU-UHFFFAOYSA-N
MW778.55 g/mol
LogP6.58
Rot. Bonds10

About 1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide

1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide (PubChem CID 87285085) has the molecular formula C33H27Cl2F6N3O6S and a molecular weight of 778.55 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide
PubChem CID87285085
Molecular FormulaC33H27Cl2F6N3O6S
Molecular Weight778.55 g/mol
Exact Mass777.09
IUPAC Name1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide
SMILESCc1cc(CS(=O)(=O)NC(=O)C2(c3c(Cl)cccc3Cl)CC2)ccc1C1NC(OCC(F)(F)F)C2=C1C(=O)C(OCC(F)(F)F)c1cccnc12
InChIInChI=1S/C33H27Cl2F6N3O6S/c1-16-12-17(13-51(47,48)44-30(46)31(9-10-31)24-20(34)5-2-6-21(24)35)7-8-18(16)26-22-23(29(43-26)50-15-33(39,40)41)25-19(4-3-11-42-25)28(27(22)45)49-14-32(36,37)38/h2-8,11-12,26,28-29,43H,9-10,13-15H2,1H3,(H,44,46)
InChIKeyFLXAWVFPTQPYPU-UHFFFAOYSA-N
XLogP6.58
TPSA123.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.55
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide 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

1-(2-chloro-6-fluorophenyl)-N-[[4-(5,9-diethoxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]cyclopropane-1-carboxamide
CID 67140812
N-[[4-(5,9-diethoxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2,2-difluoro-2-phenylacetamide
CID 67141228
N-[[4-(5,9-diethoxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 67141275
N-[[4-(5,9-diethoxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-(2-fluorophenyl)acetamide
CID 67141291
N-[[4-(5,9-diethoxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-[2-(difluoromethoxy)phenyl]acetamide
CID 67142269
N-[[4-(5,9-diethoxy-6-oxo-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl)-3-methylphenyl]methylsulfonyl]-2-[2-(trifluoromethyl)phenyl]acetamide
CID 67142339
N-[[3-chloro-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 87284983
N-[[3-methyl-4-[6-oxo-5,9-bis(trifluoromethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]-2-pyridin-2-ylacetamide
CID 87284986
1-(2,6-diethylphenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide
CID 87285074
N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]-2-(2-methylphenyl)acetamide
CID 87285083
1-(2,6-dimethylphenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide
CID 87285084
2-(2-methoxyphenyl)-N-methyl-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]acetamide
CID 87285102

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide (CID 87285085) is 1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide is Cc1cc(CS(=O)(=O)NC(=O)C2(c3c(Cl)cccc3Cl)CC2)ccc1C1NC(OCC(F)(F)F)C2=C1C(=O)C(OCC(F)(F)F)c1cccnc12.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide?
The InChIKey is FLXAWVFPTQPYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27Cl2F6N3O6S/c1-16-12-17(13-51(47,48)44-30(46)31(9-10-31)24-20(34)5-2-6-21(24)35)7-8-18(16)26-22-23(29(43-26)50-15-33(39,40)41)25-19(4-3-11-42-25)28(27(22)45)49-14-32(36,37)38/h2-8,11-12,26,28-29,43H,9-10,13-15H2,1H3,(H,44,46).
What are the key properties of 1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide?
1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide has a molecular weight of 778.55 g/mol, XLogP of 6.58, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-[[3-methyl-4-[6-oxo-5,9-bis(2,2,2-trifluoroethoxy)-5,7,8,9-tetrahydropyrrolo[3,4-h]quinolin-7-yl]phenyl]methylsulfonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 87285085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).