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

C18H14N2O4 — CID 110324306

IUPACN-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCc1cc2ccccc2[nH]c1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N2O4/c21-17(12-5-6-15-16(8-12)24-10-23-15)19-9-13-7-11-3-1-2-4-14(11)20-18(13)22/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyNSZGBLXQSCVIFX-UHFFFAOYSA-N
MW322.32 g/mol
LogP2.19
Rot. Bonds3

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

N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110324306) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110324306
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC NameN-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(NCc1cc2ccccc2[nH]c1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C18H14N2O4/c21-17(12-5-6-15-16(8-12)24-10-23-15)19-9-13-7-11-3-1-2-4-14(11)20-18(13)22/h1-8H,9-10H2,(H,19,21)(H,20,22)
InChIKeyNSZGBLXQSCVIFX-UHFFFAOYSA-N
XLogP2.19
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110324561
N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110324417
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]-3-phenylbenzamide
CID 110324311
N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-sulfonamide
CID 110324331
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110326136
N-(1H-benzimidazol-2-ylmethyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 18105110
6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide
CID 110662606
N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619586
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 2231244
N-[3-(1H-benzimidazol-2-ylamino)propyl]-1,3-benzodioxole-5-carboxamide
CID 122179126
N-[[4-(hydroxymethyl)phenyl]methyl]-1,3-benzodioxole-5-carboxamide
CID 107231683

Frequently Asked Questions

What is the IUPAC name of N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide (CID 110324306) is N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide is O=C(NCc1cc2ccccc2[nH]c1=O)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is NSZGBLXQSCVIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O4/c21-17(12-5-6-15-16(8-12)24-10-23-15)19-9-13-7-11-3-1-2-4-14(11)20-18(13)22/h1-8H,9-10H2,(H,19,21)(H,20,22).
What are the key properties of N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide?
N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 322.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110324306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).