2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide

C28H28N2O4 — CID 160685645

IUPAC2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1cc2cc(CCc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3C)c2cc1OC
InChIInChI=1S/C28H28N2O4/c1-19-9-7-8-12-23(19)29-27(31)18-30-24-17-26(34-3)25(33-2)16-22(24)15-21(28(30)32)14-13-20-10-5-4-6-11-20/h4-12,15-17H,13-14,18H2,1-3H3,(H,29,31)
InChIKeyROSNKGWNNBZXME-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.75
Rot. Bonds8

About 2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide

2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide (PubChem CID 160685645) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide
PubChem CID160685645
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide
SMILESCOc1cc2cc(CCc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3C)c2cc1OC
InChIInChI=1S/C28H28N2O4/c1-19-9-7-8-12-23(19)29-27(31)18-30-24-17-26(34-3)25(33-2)16-22(24)15-21(28(30)32)14-13-20-10-5-4-6-11-20/h4-12,15-17H,13-14,18H2,1-3H3,(H,29,31)
InChIKeyROSNKGWNNBZXME-UHFFFAOYSA-N
XLogP4.75
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6,7-dimethoxy-3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 160777515
N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 160506977
2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 18591142
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-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide
CID 18591309
2-[6,7-dimethoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 20922007
2-[8-(anilinomethyl)-7-oxo-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-6-yl]-N-(2-methylphenyl)acetamide
CID 18591157
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 162004998
2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 161123821
2-(3,4-dimethoxyphenyl)-N-(2-methylphenyl)acetamide
CID 835508
N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 158474713

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide (CID 160685645) is 2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide is COc1cc2cc(CCc3ccccc3)c(=O)n(CC(=O)Nc3ccccc3C)c2cc1OC.
What is the InChIKey of 2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is ROSNKGWNNBZXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-19-9-7-8-12-23(19)29-27(31)18-30-24-17-26(34-3)25(33-2)16-22(24)15-21(28(30)32)14-13-20-10-5-4-6-11-20/h4-12,15-17H,13-14,18H2,1-3H3,(H,29,31).
What are the key properties of 2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide?
2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 456.54 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dimethoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(2-methylphenyl)acetamide is sourced from PubChem (CID 160685645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).