N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide

C19H16N2O4 — CID 110324561

IUPACN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc2cc(CNC(=O)c3ccc4c(c3)OCO4)c(=O)[nH]c2c1
InChIInChI=1S/C19H16N2O4/c1-11-2-3-12-7-14(19(23)21-15(12)6-11)9-20-18(22)13-4-5-16-17(8-13)25-10-24-16/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyPQOGTTQLUAKRKB-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.50
Rot. Bonds3

About N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110324561) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110324561
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc2cc(CNC(=O)c3ccc4c(c3)OCO4)c(=O)[nH]c2c1
InChIInChI=1S/C19H16N2O4/c1-11-2-3-12-7-14(19(23)21-15(12)6-11)9-20-18(22)13-4-5-16-17(8-13)25-10-24-16/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyPQOGTTQLUAKRKB-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-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110324306
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110325301
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110324417
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110326136
N-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110794338
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
3-(1,3-benzodioxol-5-yl)-N-[(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 110608974
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
CID 110324580
1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324549
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
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
CID 7080098

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 110324561) is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide is Cc1ccc2cc(CNC(=O)c3ccc4c(c3)OCO4)c(=O)[nH]c2c1.
What is the InChIKey of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is PQOGTTQLUAKRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-11-2-3-12-7-14(19(23)21-15(12)6-11)9-20-18(22)13-4-5-16-17(8-13)25-10-24-16/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(7-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-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110324561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).