N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide

C19H16N2O4 — CID 110324417

IUPACN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3ccc4c(c3)OCO4)c(=O)[nH]c12
InChIInChI=1S/C19H16N2O4/c1-11-3-2-4-12-7-14(19(23)21-17(11)12)9-20-18(22)13-5-6-15-16(8-13)25-10-24-15/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyKMWIJZBSMYKYFB-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.50
Rot. Bonds3

About N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide

N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110324417) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110324417
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3ccc4c(c3)OCO4)c(=O)[nH]c12
InChIInChI=1S/C19H16N2O4/c1-11-3-2-4-12-7-14(19(23)21-17(11)12)9-20-18(22)13-5-6-15-16(8-13)25-10-24-15/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyKMWIJZBSMYKYFB-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-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110325301
N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110324306
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110324561
4-(dimethylsulfamoyl)-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 110324404
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]thiophene-2-carboxamide
CID 110324370
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794338
N-(1,3-benzodioxol-5-ylmethyl)-3-fluoro-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1445670
8-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 23009265
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-fluorobenzamide
CID 110325266
N-[(2,5-dimethoxy-4-methylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794272
N-[(1,2,5-trimethylpyrrol-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110642046
N-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794166

Frequently Asked Questions

What is the IUPAC name of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 110324417) is N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide is Cc1cccc2cc(CNC(=O)c3ccc4c(c3)OCO4)c(=O)[nH]c12.
What is the InChIKey of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is KMWIJZBSMYKYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11-3-2-4-12-7-14(19(23)21-17(11)12)9-20-18(22)13-5-6-15-16(8-13)25-10-24-15/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-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-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110324417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).