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

C27H26N2O4 — CID 160535192

IUPAC2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(=O)c(CCc3ccccc3)cc3ccc(OC)cc32)c1
InChIInChI=1S/C27H26N2O4/c1-32-23-10-6-9-22(16-23)28-26(30)18-29-25-17-24(33-2)14-13-20(25)15-21(27(29)31)12-11-19-7-4-3-5-8-19/h3-10,13-17H,11-12,18H2,1-2H3,(H,28,30)
InChIKeyQWBGJIBKCVENCM-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.44
Rot. Bonds8

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

2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 160535192) has the molecular formula C27H26N2O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID160535192
Molecular FormulaC27H26N2O4
Molecular Weight442.52 g/mol
Exact Mass442.19
IUPAC Name2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2c(=O)c(CCc3ccccc3)cc3ccc(OC)cc32)c1
InChIInChI=1S/C27H26N2O4/c1-32-23-10-6-9-22(16-23)28-26(30)18-29-25-17-24(33-2)14-13-20(25)15-21(27(29)31)12-11-19-7-4-3-5-8-19/h3-10,13-17H,11-12,18H2,1-2H3,(H,28,30)
InChIKeyQWBGJIBKCVENCM-UHFFFAOYSA-N
XLogP4.44
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 161418456
N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 157137286
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-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 161123821
N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 160506977
N-(3,4-difluorophenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 159042001
2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16956547
N-(3-methoxyphenyl)-2-(3-methyl-2-oxoquinolin-1-yl)acetamide
CID 110680381
N-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 158903832
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 162004998
2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide
CID 16956575

Frequently Asked Questions

What is the IUPAC name of 2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide (CID 160535192) is 2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2c(=O)c(CCc3ccccc3)cc3ccc(OC)cc32)c1.
What is the InChIKey of 2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is QWBGJIBKCVENCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O4/c1-32-23-10-6-9-22(16-23)28-26(30)18-29-25-17-24(33-2)14-13-20(25)15-21(27(29)31)12-11-19-7-4-3-5-8-19/h3-10,13-17H,11-12,18H2,1-2H3,(H,28,30).
What are the key properties of 2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 160535192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).