N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide

C27H25ClN2O4 — CID 160506977

IUPACN-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
SMILESCOc1ccc2cc(CCc3ccccc3)c(=O)n(CC(=O)Nc3cc(Cl)ccc3OC)c2c1
InChIInChI=1S/C27H25ClN2O4/c1-33-22-12-10-19-14-20(9-8-18-6-4-3-5-7-18)27(32)30(24(19)16-22)17-26(31)29-23-15-21(28)11-13-25(23)34-2/h3-7,10-16H,8-9,17H2,1-2H3,(H,29,31)
InChIKeyQSNRLHCAIQIRSN-UHFFFAOYSA-N
MW476.96 g/mol
LogP5.10
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide (PubChem CID 160506977) has the molecular formula C27H25ClN2O4 and a molecular weight of 476.96 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
PubChem CID160506977
Molecular FormulaC27H25ClN2O4
Molecular Weight476.96 g/mol
Exact Mass476.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
SMILESCOc1ccc2cc(CCc3ccccc3)c(=O)n(CC(=O)Nc3cc(Cl)ccc3OC)c2c1
InChIInChI=1S/C27H25ClN2O4/c1-33-22-12-10-19-14-20(9-8-18-6-4-3-5-7-18)27(32)30(24(19)16-22)17-26(31)29-23-15-21(28)11-13-25(23)34-2/h3-7,10-16H,8-9,17H2,1-2H3,(H,29,31)
InChIKeyQSNRLHCAIQIRSN-UHFFFAOYSA-N
XLogP5.10
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.96
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 160535192
N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 157137286
N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 161418456
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
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
2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide
CID 161401893
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 162004998
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 22423596
N-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 6617080

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide (CID 160506977) is N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide is COc1ccc2cc(CCc3ccccc3)c(=O)n(CC(=O)Nc3cc(Cl)ccc3OC)c2c1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide?
The InChIKey is QSNRLHCAIQIRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN2O4/c1-33-22-12-10-19-14-20(9-8-18-6-4-3-5-7-18)27(32)30(24(19)16-22)17-26(31)29-23-15-21(28)11-13-25(23)34-2/h3-7,10-16H,8-9,17H2,1-2H3,(H,29,31).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide has a molecular weight of 476.96 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide is sourced from PubChem (CID 160506977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).