2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid

C31H29ClN2O4 — CID 68593766

IUPAC2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid
SMILESCOc1ccccc1-c1ccc2cc(CC(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)C(=O)O)ccc2n1
InChIInChI=1S/C31H29ClN2O4/c1-38-28-7-3-2-6-24(28)26-15-9-21-18-20(8-14-25(21)33-26)19-27(29(35)36)34-30(37)31(16-4-5-17-31)22-10-12-23(32)13-11-22/h2-3,6-15,18,27H,4-5,16-17,19H2,1H3,(H,34,37)(H,35,36)
InChIKeyXFPPZBMPVJLHOT-UHFFFAOYSA-N
MW529.04 g/mol
LogP6.19
Rot. Bonds8

About 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid

2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid (PubChem CID 68593766) has the molecular formula C31H29ClN2O4 and a molecular weight of 529.04 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid
PubChem CID68593766
Molecular FormulaC31H29ClN2O4
Molecular Weight529.04 g/mol
Exact Mass528.18
IUPAC Name2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid
SMILESCOc1ccccc1-c1ccc2cc(CC(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)C(=O)O)ccc2n1
InChIInChI=1S/C31H29ClN2O4/c1-38-28-7-3-2-6-24(28)26-15-9-21-18-20(8-14-25(21)33-26)19-27(29(35)36)34-30(37)31(16-4-5-17-31)22-10-12-23(32)13-11-22/h2-3,6-15,18,27H,4-5,16-17,19H2,1H3,(H,34,37)(H,35,36)
InChIKeyXFPPZBMPVJLHOT-UHFFFAOYSA-N
XLogP6.19
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.04
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid with MolForge

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Related Compounds

2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2,6-dimethylphenyl)quinolin-6-yl]propanoic acid
CID 69119086
(2S)-3-(4-methoxyphenyl)-2-[(1-phenylcyclopentanecarbonyl)amino]propanoic acid
CID 54228911
2-[(2,6-dimethoxybenzoyl)amino]-3-[2-[2-(trifluoromethyl)phenyl]quinolin-6-yl]propanoic acid
CID 68593409
(2R)-3-[2-(2,6-dimethoxyphenyl)quinolin-6-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 68592486
(2S)-3-[4-(2,6-dimethoxyphenyl)phenyl]-2-[(1-pyridin-2-ylcyclopentanecarbonyl)amino]propanoic acid
CID 142344091
(2S)-2-[(2,6-difluorobenzoyl)amino]-3-[2-(2-methoxynaphthalen-1-yl)quinolin-6-yl]propanoic acid
CID 11237587
methyl (2S)-3-(4-aminophenyl)-2-[(1-phenylcyclopentanecarbonyl)amino]propanoate
CID 54536021
(2S)-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]-2-[(2-piperidin-1-ylbenzoyl)amino]propanoic acid
CID 69118704
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 43630613
(2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[2-(2-nitrophenyl)quinolin-6-yl]propanoic acid
CID 11431805
3-chloro-N-[5-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-methoxy-2-pyridinyl]benzamide
CID 172841186
(2S)-2-[(6-chloroquinolin-2-yl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 67359606

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid?
The IUPAC name of 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid (CID 68593766) is 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid?
The canonical SMILES for 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid is COc1ccccc1-c1ccc2cc(CC(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)C(=O)O)ccc2n1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid?
The InChIKey is XFPPZBMPVJLHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29ClN2O4/c1-38-28-7-3-2-6-24(28)26-15-9-21-18-20(8-14-25(21)33-26)19-27(29(35)36)34-30(37)31(16-4-5-17-31)22-10-12-23(32)13-11-22/h2-3,6-15,18,27H,4-5,16-17,19H2,1H3,(H,34,37)(H,35,36).
What are the key properties of 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid?
2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid has a molecular weight of 529.04 g/mol, XLogP of 6.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)cyclopentanecarbonyl]amino]-3-[2-(2-methoxyphenyl)quinolin-6-yl]propanoic acid is sourced from PubChem (CID 68593766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).