N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide

C29H30N2O3 — CID 158474713

IUPACN-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)Cn2c(=O)c(CCc3ccc(C)cc3)cc3ccc(OC)cc32)c1
InChIInChI=1S/C29H30N2O3/c1-4-21-6-5-7-25(16-21)30-28(32)19-31-27-18-26(34-3)15-14-23(27)17-24(29(31)33)13-12-22-10-8-20(2)9-11-22/h5-11,14-18H,4,12-13,19H2,1-3H3,(H,30,32)
InChIKeyHGUFQOLZKPEUGB-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.30
Rot. Bonds8

About N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide

N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide (PubChem CID 158474713) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
PubChem CID158474713
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC NameN-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
SMILESCCc1cccc(NC(=O)Cn2c(=O)c(CCc3ccc(C)cc3)cc3ccc(OC)cc32)c1
InChIInChI=1S/C29H30N2O3/c1-4-21-6-5-7-25(16-21)30-28(32)19-31-27-18-26(34-3)15-14-23(27)17-24(29(31)33)13-12-22-10-8-20(2)9-11-22/h5-11,14-18H,4,12-13,19H2,1-3H3,(H,30,32)
InChIKeyHGUFQOLZKPEUGB-UHFFFAOYSA-N
XLogP5.30
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 161418456
2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 160535192
N-(3,4-difluorophenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 159042001
N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 157137286
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-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16956547
2-[7-methoxy-3-[(4-methylanilino)methyl]-2-oxoquinolin-1-yl]-N-(2-phenylethyl)acetamide
CID 16956575
N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 160506977
N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide
CID 20922034

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide?
The IUPAC name of N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide (CID 158474713) is N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide?
The canonical SMILES for N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide is CCc1cccc(NC(=O)Cn2c(=O)c(CCc3ccc(C)cc3)cc3ccc(OC)cc32)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide?
The InChIKey is HGUFQOLZKPEUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-4-21-6-5-7-25(16-21)30-28(32)19-31-27-18-26(34-3)15-14-23(27)17-24(29(31)33)13-12-22-10-8-20(2)9-11-22/h5-11,14-18H,4,12-13,19H2,1-3H3,(H,30,32).
What are the key properties of N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide?
N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide has a molecular weight of 454.57 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide is sourced from PubChem (CID 158474713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).