N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide

C20H18N2O4 — CID 110331279

IUPACN-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1ccc2[nH]c(=O)c(CCC(=O)Nc3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C20H18N2O4/c1-12-2-5-16-14(8-12)9-13(20(24)22-16)3-7-19(23)21-15-4-6-17-18(10-15)26-11-25-17/h2,4-6,8-10H,3,7,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyRBHJEJJTFCWRGN-UHFFFAOYSA-N
MW350.37 g/mol
LogP3.14
Rot. Bonds4

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

N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 110331279) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID110331279
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCc1ccc2[nH]c(=O)c(CCC(=O)Nc3ccc4c(c3)OCO4)cc2c1
InChIInChI=1S/C20H18N2O4/c1-12-2-5-16-14(8-12)9-13(20(24)22-16)3-7-19(23)21-15-4-6-17-18(10-15)26-11-25-17/h2,4-6,8-10H,3,7,11H2,1H3,(H,21,23)(H,22,24)
InChIKeyRBHJEJJTFCWRGN-UHFFFAOYSA-N
XLogP3.14
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-fluorophenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331277
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-oxo-1H-quinolin-3-yl)propanamide
CID 110331047
N-(4-ethoxyphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331268
N-(2,5-dimethylphenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331255
N-(1,3-benzodioxol-5-yl)-3-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 135676996
N-(3-cyanophenyl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331282
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-fluorophenyl)-1-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiourea
CID 1134032
N-(3,5-dimethylphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331323
N-(3-methoxyphenyl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 110331426
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 53174716

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide (CID 110331279) is N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide is Cc1ccc2[nH]c(=O)c(CCC(=O)Nc3ccc4c(c3)OCO4)cc2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is RBHJEJJTFCWRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-12-2-5-16-14(8-12)9-13(20(24)22-16)3-7-19(23)21-15-4-6-17-18(10-15)26-11-25-17/h2,4-6,8-10H,3,7,11H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide?
N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 350.37 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 110331279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).