N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide

C24H18N2O3 — CID 1345651

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H18N2O3/c27-24(25-14-16-10-11-22-23(12-16)29-15-28-22)19-13-21(17-6-2-1-3-7-17)26-20-9-5-4-8-18(19)20/h1-13H,14-15H2,(H,25,27)
InChIKeyLTGYLRAGPGGNJC-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.56
Rot. Bonds4

About N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide (PubChem CID 1345651) has the molecular formula C24H18N2O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide
PubChem CID1345651
Molecular FormulaC24H18N2O3
Molecular Weight382.42 g/mol
Exact Mass382.13
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide
SMILESO=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C24H18N2O3/c27-24(25-14-16-10-11-22-23(12-16)29-15-28-22)19-13-21(17-6-2-1-3-7-17)26-20-9-5-4-8-18(19)20/h1-13H,14-15H2,(H,25,27)
InChIKeyLTGYLRAGPGGNJC-UHFFFAOYSA-N
XLogP4.56
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 3532105
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethylphenyl)quinoline-4-carboxamide
CID 4286720
2-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]quinoline-4-carboxamide
CID 3540757
2-(1,3-benzodioxol-5-yl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]quinoline-4-carboxamide
CID 4306900
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide
CID 3388555
N-[(3-carbamoylphenyl)methyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)quinoline-4-carboxamide
CID 32637632
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-4-carboxamide
CID 18076214
N-[(E)-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]methylideneamino]-2-phenylquinoline-4-carboxamide
CID 126053329
N-(1,3-benzodioxol-5-ylmethyl)-5,7-diphenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1256671
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-phenyl-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 1212425
2-(1,3-benzodioxol-5-yl)-N-[[(2R)-oxolan-2-yl]methyl]quinoline-4-carboxamide
CID 1028519

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide (CID 1345651) is N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide is O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide?
The InChIKey is LTGYLRAGPGGNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O3/c27-24(25-14-16-10-11-22-23(12-16)29-15-28-22)19-13-21(17-6-2-1-3-7-17)26-20-9-5-4-8-18(19)20/h1-13H,14-15H2,(H,25,27).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 1345651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).