N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide

C21H22N2O3 — CID 110331323

IUPACN-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)Nc3cc(C)cc(C)c3)cc2c1
InChIInChI=1S/C21H22N2O3/c1-13-8-14(2)10-17(9-13)22-20(24)7-4-15-11-16-12-18(26-3)5-6-19(16)23-21(15)25/h5-6,8-12H,4,7H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyFNAWRKSDUDGVND-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.72
Rot. Bonds5

About N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide

N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110331323) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110331323
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOc1ccc2[nH]c(=O)c(CCC(=O)Nc3cc(C)cc(C)c3)cc2c1
InChIInChI=1S/C21H22N2O3/c1-13-8-14(2)10-17(9-13)22-20(24)7-4-15-11-16-12-18(26-3)5-6-19(16)23-21(15)25/h5-6,8-12H,4,7H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyFNAWRKSDUDGVND-UHFFFAOYSA-N
XLogP3.72
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110331339
N-(2,6-difluorophenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110428860
N-(3-chloro-2-methylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331330
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110608005
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)propanamide
CID 110331250
methyl 2-[3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoylamino]benzoate
CID 110424012
N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331268
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(3-methylphenyl)propanamide
CID 110331249
N-(4-chlorophenyl)-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110298893
3-(7-fluoro-2-oxo-1H-quinolin-3-yl)-N-(4-methoxyphenyl)propanamide
CID 110422053
3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-(2-propan-2-yloxyethyl)propanamide
CID 110418808
N,N-diethyl-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 53174783

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide (CID 110331323) is N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide is COc1ccc2[nH]c(=O)c(CCC(=O)Nc3cc(C)cc(C)c3)cc2c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is FNAWRKSDUDGVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-8-14(2)10-17(9-13)22-20(24)7-4-15-11-16-12-18(26-3)5-6-19(16)23-21(15)25/h5-6,8-12H,4,7H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 350.42 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110331323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).