N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide

C28H28N2O3 — CID 161418456

IUPACN-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)Cn2c(=O)c(CCc3ccccc3)cc3ccc(OC)cc32)cc1
InChIInChI=1S/C28H28N2O3/c1-3-20-10-14-24(15-11-20)29-27(31)19-30-26-18-25(33-2)16-13-22(26)17-23(28(30)32)12-9-21-7-5-4-6-8-21/h4-8,10-11,13-18H,3,9,12,19H2,1-2H3,(H,29,31)
InChIKeyVWKHNKALTXOPTD-UHFFFAOYSA-N
MW440.54 g/mol
LogP5.00
Rot. Bonds8

About N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide

N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide (PubChem CID 161418456) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
PubChem CID161418456
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC NameN-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
SMILESCCc1ccc(NC(=O)Cn2c(=O)c(CCc3ccccc3)cc3ccc(OC)cc32)cc1
InChIInChI=1S/C28H28N2O3/c1-3-20-10-14-24(15-11-20)29-27(31)19-30-26-18-25(33-2)16-13-22(26)17-23(28(30)32)12-9-21-7-5-4-6-8-21/h4-8,10-11,13-18H,3,9,12,19H2,1-2H3,(H,29,31)
InChIKeyVWKHNKALTXOPTD-UHFFFAOYSA-N
XLogP5.00
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[3-[2-(4-ethylphenyl)ethyl]-7-methoxy-2-oxoquinolin-1-yl]-N-(3-methylphenyl)acetamide
CID 161401893
N-(3-ethylphenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 158474713
N-(3-chloro-4-methylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 157137286
N-(3,4-difluorophenyl)-2-[7-methoxy-3-[2-(4-methylphenyl)ethyl]-2-oxoquinolin-1-yl]acetamide
CID 159042001
N-(5-chloro-2-methoxyphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide
CID 160506977
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
N-(1,3-benzodioxol-5-yl)-2-[3-[(4-ethylanilino)methyl]-7-methoxy-2-oxoquinolin-1-yl]acetamide
CID 20922034
2-[3-[(4-ethylanilino)methyl]-6,7-dimethoxy-2-oxoquinolin-1-yl]-N-phenylacetamide
CID 18591309
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 N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide?
The IUPAC name of N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide (CID 161418456) is N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide?
The canonical SMILES for N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide is CCc1ccc(NC(=O)Cn2c(=O)c(CCc3ccccc3)cc3ccc(OC)cc32)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide?
The InChIKey is VWKHNKALTXOPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-3-20-10-14-24(15-11-20)29-27(31)19-30-26-18-25(33-2)16-13-22(26)17-23(28(30)32)12-9-21-7-5-4-6-8-21/h4-8,10-11,13-18H,3,9,12,19H2,1-2H3,(H,29,31).
What are the key properties of N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide?
N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide has a molecular weight of 440.54 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2-[7-methoxy-2-oxo-3-(2-phenylethyl)quinolin-1-yl]acetamide is sourced from PubChem (CID 161418456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).