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

C29H30N2O3 — CID 161401893

IUPAC2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCc1ccc(CCc2cc3ccc(OC)cc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C29H30N2O3/c1-4-21-8-10-22(11-9-21)12-13-24-17-23-14-15-26(34-3)18-27(23)31(29(24)33)19-28(32)30-25-7-5-6-20(2)16-25/h5-11,14-18H,4,12-13,19H2,1-3H3,(H,30,32)
InChIKeyVUIOJLQZGYCOIN-UHFFFAOYSA-N
MW454.57 g/mol
LogP5.30
Rot. Bonds8

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

2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide (PubChem CID 161401893) has the molecular formula C29H30N2O3 and a molecular weight of 454.57 g/mol. Its IUPAC name is 2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide
PubChem CID161401893
Molecular FormulaC29H30N2O3
Molecular Weight454.57 g/mol
Exact Mass454.23
IUPAC Name2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide
SMILESCCc1ccc(CCc2cc3ccc(OC)cc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1
InChIInChI=1S/C29H30N2O3/c1-4-21-8-10-22(11-9-21)12-13-24-17-23-14-15-26(34-3)18-27(23)31(29(24)33)19-28(32)30-25-7-5-6-20(2)16-25/h5-11,14-18H,4,12-13,19H2,1-3H3,(H,30,32)
InChIKeyVUIOJLQZGYCOIN-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

N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 158474713
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
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-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 157137286
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-7-methyl-2-oxoquinolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 162004998
N-[(4-fluorophenyl)methyl]-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 158903832
2-[3-(anilinomethyl)-7-methoxy-2-oxoquinolin-1-yl]-N-(4-methylphenyl)acetamide
CID 16956547
N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide
CID 20922034
N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 160506977
2-[6,7-dimethoxy-3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinolin-1-yl]-N-(2-methylphenyl)acetamide
CID 160777515

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide (CID 161401893) is 2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide is CCc1ccc(CCc2cc3ccc(OC)cc3n(CC(=O)Nc3cccc(C)c3)c2=O)cc1.
What is the InChIKey of 2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is VUIOJLQZGYCOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3/c1-4-21-8-10-22(11-9-21)12-13-24-17-23-14-15-26(34-3)18-27(23)31(29(24)33)19-28(32)30-25-7-5-6-20(2)16-25/h5-11,14-18H,4,12-13,19H2,1-3H3,(H,30,32).
What are the key properties of 2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide?
2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)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 2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 161401893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).