N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide

C21H22N2O3 — CID 110331268

IUPACN-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2cc3cc(C)ccc3[nH]c2=O)cc1
InChIInChI=1S/C21H22N2O3/c1-3-26-18-8-6-17(7-9-18)22-20(24)11-5-15-13-16-12-14(2)4-10-19(16)23-21(15)25/h4,6-10,12-13H,3,5,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPEFZAIGEQUKAPQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.81
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide

N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110331268) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110331268
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2cc3cc(C)ccc3[nH]c2=O)cc1
InChIInChI=1S/C21H22N2O3/c1-3-26-18-8-6-17(7-9-18)22-20(24)11-5-15-13-16-12-14(2)4-10-19(16)23-21(15)25/h4,6-10,12-13H,3,5,11H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyPEFZAIGEQUKAPQ-UHFFFAOYSA-N
XLogP3.81
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)propanamide
CID 110331250
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide
CID 110331249
N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331323
ethyl 4-[3-(7-methyl-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110426633
N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331279
N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331255
N-(3-fluorophenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331277
N-(3-cyanophenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331282
3-(4-ethoxyphenyl)-1-(2-hydroxyethyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1176883
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110331339
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methylphenoxy)acetamide
CID 110325904
6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one
CID 25318901

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 110331268) is N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide is CCOc1ccc(NC(=O)CCc2cc3cc(C)ccc3[nH]c2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is PEFZAIGEQUKAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-3-26-18-8-6-17(7-9-18)22-20(24)11-5-15-13-16-12-14(2)4-10-19(16)23-21(15)25/h4,6-10,12-13H,3,5,11H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110331268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).