methyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate

C26H22ClN3O3 — CID 134147491

IUPACmethyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate
SMILESCOC(=O)[C@H](C)c1ccc(C)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)nc12
InChIInChI=1S/C26H22ClN3O3/c1-15-7-9-19(16(2)26(32)33-3)24-18(15)10-12-23(30-24)25(31)29-17-8-11-21(27)20(14-17)22-6-4-5-13-28-22/h4-14,16H,1-3H3,(H,29,31)/t16-/m1/s1
InChIKeyXFVHLKZDDHYLSX-MRXNPFEDSA-N
MW459.93 g/mol
LogP5.79
Rot. Bonds5

About methyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate

methyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate (PubChem CID 134147491) has the molecular formula C26H22ClN3O3 and a molecular weight of 459.93 g/mol. Its IUPAC name is methyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate
PubChem CID134147491
Molecular FormulaC26H22ClN3O3
Molecular Weight459.93 g/mol
Exact Mass459.13
IUPAC Namemethyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate
SMILESCOC(=O)[C@H](C)c1ccc(C)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)nc12
InChIInChI=1S/C26H22ClN3O3/c1-15-7-9-19(16(2)26(32)33-3)24-18(15)10-12-23(30-24)25(31)29-17-8-11-21(27)20(14-17)22-6-4-5-13-28-22/h4-14,16H,1-3H3,(H,29,31)/t16-/m1/s1
InChIKeyXFVHLKZDDHYLSX-MRXNPFEDSA-N
XLogP5.79
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.93
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate with MolForge

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Related Compounds

4-(2-chlorophenyl)-N-(2-hydroxyethyl)-5,7-dimethyl-6-(4-pyridyl)quinoline-2-carboxamide
CID 126593951
4-(2-chlorophenyl)-N-(2-dimethylaminoethyl)-5,7-dimethyl-6-(4-pyridyl)quinoline-2-carboxamide
CID 126594040
FadD32 Inhibitor-1
CID 126594078
2-[1-[4-[(4-Chlorophenyl)carbamoyl]benzoyl]isoquinolin-4-yl]acetic acid
CID 72737191
6-chloro-2-(4-methylphenyl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 162669318
4-(2-chlorophenyl)-N-isopropyl-5,7-dimethyl-6-(4-pyridyl)quinoline-2-carboxamide
CID 126593680
Ethyl 4-(2-chlorophenyl)-5,7-dimethyl-6-(4-pyridinyl)-2-quinolinecarboxylate
CID 126593682
[4-(2-Chlorophenyl)-5,7-dimethyl-6-(4-pyridyl)-2-quinolyl]-piperazin-1-yl-methanone
CID 126593747
4-(2-chlorophenyl)-N-(2-fluoroethyl)-5,7-dimethyl-6-(4-pyridyl)quinoline-2-carboxamide
CID 126593887
4-(2-Chlorophenyl)-5,7-dimethyl-6-(4-pyridyl)quinoline-2-carboxamide
CID 126593946
[4-(2-Chlorophenyl)-5,7-dimethyl-6-(4-pyridyl)-2-quinolyl]-pyrrolidin-1-yl-methanone
CID 126593957
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 16279651

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate?
The IUPAC name of methyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate (CID 134147491) is methyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate?
The canonical SMILES for methyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate is COC(=O)[C@H](C)c1ccc(C)c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)nc12.
What is the InChIKey of methyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate?
The InChIKey is XFVHLKZDDHYLSX-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H22ClN3O3/c1-15-7-9-19(16(2)26(32)33-3)24-18(15)10-12-23(30-24)25(31)29-17-8-11-21(27)20(14-17)22-6-4-5-13-28-22/h4-14,16H,1-3H3,(H,29,31)/t16-/m1/s1.
What are the key properties of methyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate?
methyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate has a molecular weight of 459.93 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[2-[(4-chloro-3-pyridin-2-ylphenyl)carbamoyl]-5-methylquinolin-8-yl]propanoate is sourced from PubChem (CID 134147491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).