N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide

C19H16N2O4 — CID 24939135

IUPACN-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]c2ccccc12
InChIInChI=1S/C19H16N2O4/c1-11-13-4-2-3-5-14(13)21-19(23)17(11)18(22)20-9-12-6-7-15-16(8-12)25-10-24-15/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyINVKFYRCQSFQLW-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.50
Rot. Bonds3

About N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 24939135) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
PubChem CID24939135
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide
SMILESCc1c(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]c2ccccc12
InChIInChI=1S/C19H16N2O4/c1-11-13-4-2-3-5-14(13)21-19(23)17(11)18(22)20-9-12-6-7-15-16(8-12)25-10-24-15/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyINVKFYRCQSFQLW-UHFFFAOYSA-N
XLogP2.50
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1H-indole-2-carboxamide
CID 110851797
N-(1,3-benzodioxol-5-ylmethyl)-2-(3-methyl-2-oxo-1H-quinolin-6-yl)acetamide
CID 110300545
N-(1,3-benzodioxol-5-ylmethyl)-4-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110851693
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204704
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-3-methyl-1H-quinolin-2-one
CID 45494575
N-(1,3-benzodioxol-5-ylmethyl)-7-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110851704
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-oxo-1H-quinoline-4-carboxamide
CID 27761173
N-(1,3-benzodioxol-5-ylmethyl)-3-methyl-1-benzothiophene-2-carboxamide
CID 8869235
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 2631346
N-(1,3-benzodioxol-5-ylmethyl)-2,4-dimethyl-1-oxidopyridin-1-ium-3-carboxamide
CID 46181856
N-(1,3-benzodioxol-5-ylmethyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110851794
N-(1,3-benzodioxol-5-ylmethyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112522048

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide (CID 24939135) is N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide is Cc1c(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]c2ccccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is INVKFYRCQSFQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11-13-4-2-3-5-14(13)21-19(23)17(11)18(22)20-9-12-6-7-15-16(8-12)25-10-24-15/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.50, 3 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-ylmethyl)-4-methyl-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 24939135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).