N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide

C27H25ClN2O3 — CID 157137286

IUPACN-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
SMILESCOc1ccc2cc(CCc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)c2c1
InChIInChI=1S/C27H25ClN2O3/c1-18-8-12-22(15-24(18)28)29-26(31)17-30-25-16-23(33-2)13-11-20(25)14-21(27(30)32)10-9-19-6-4-3-5-7-19/h3-8,11-16H,9-10,17H2,1-2H3,(H,29,31)
InChIKeyAJTPDWDLLMVQMR-UHFFFAOYSA-N
MW460.96 g/mol
LogP5.40
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide (PubChem CID 157137286) has the molecular formula C27H25ClN2O3 and a molecular weight of 460.96 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
PubChem CID157137286
Molecular FormulaC27H25ClN2O3
Molecular Weight460.96 g/mol
Exact Mass460.16
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
SMILESCOc1ccc2cc(CCc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)c2c1
InChIInChI=1S/C27H25ClN2O3/c1-18-8-12-22(15-24(18)28)29-26(31)17-30-25-16-23(33-2)13-11-20(25)14-21(27(30)32)10-9-19-6-4-3-5-7-19/h3-8,11-16H,9-10,17H2,1-2H3,(H,29,31)
InChIKeyAJTPDWDLLMVQMR-UHFFFAOYSA-N
XLogP5.40
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.96
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 160535192
N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 161418456
2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 161123821
N-(3,4-difluorophenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 159042001
N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 158474713
N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 160506977
2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide
CID 161401893
2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide
CID 16956575
2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16956547
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 162004998
2-[6,7-dimethoxy-3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 160777515
2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 160685645

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide (CID 157137286) is N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide is COc1ccc2cc(CCc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)c2c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide?
The InChIKey is AJTPDWDLLMVQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN2O3/c1-18-8-12-22(15-24(18)28)29-26(31)17-30-25-16-23(33-2)13-11-20(25)14-21(27(30)32)10-9-19-6-4-3-5-7-19/h3-8,11-16H,9-10,17H2,1-2H3,(H,29,31).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide has a molecular weight of 460.96 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide is sourced from PubChem (CID 157137286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).