4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one

C24H19NO4 — CID 141068273

IUPAC4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
SMILESCOc1ccc(Cn2c(=O)cc(-c3ccc4c(c3)OCO4)c3ccccc32)cc1
InChIInChI=1S/C24H19NO4/c1-27-18-9-6-16(7-10-18)14-25-21-5-3-2-4-19(21)20(13-24(25)26)17-8-11-22-23(12-17)29-15-28-22/h2-13H,14-15H2,1H3
InChIKeyKVJGXYQPFLQVBV-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.45
Rot. Bonds4

About 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one

4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one (PubChem CID 141068273) has the molecular formula C24H19NO4 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
PubChem CID141068273
Molecular FormulaC24H19NO4
Molecular Weight385.42 g/mol
Exact Mass385.13
IUPAC Name4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one
SMILESCOc1ccc(Cn2c(=O)cc(-c3ccc4c(c3)OCO4)c3ccccc32)cc1
InChIInChI=1S/C24H19NO4/c1-27-18-9-6-16(7-10-18)14-25-21-5-3-2-4-19(21)20(13-24(25)26)17-8-11-22-23(12-17)29-15-28-22/h2-13H,14-15H2,1H3
InChIKeyKVJGXYQPFLQVBV-UHFFFAOYSA-N
XLogP4.45
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-4-(4-methoxyphenyl)-1-[(4-piperidin-4-yloxyphenyl)methyl]quinolin-2-one
CID 139956939
3-(1,3-benzodioxol-5-yl)-1-[[4-(2-carboxyphenyl)phenyl]methyl]indole-2-carboxylic acid
CID 139688814
9-[(4-methoxyphenyl)methyl]-2,3-dihydro-1H-carbazol-4-one
CID 10017977
1-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)piperidin-1-yl]methyl]-7-methoxy-4-phenylquinolin-2-one
CID 143375742
3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575
1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methoxyphenyl)sulfonylpyrrolo[3,2-b]quinoxalin-2-amine
CID 2009206
1-[(4-methoxyphenyl)methyl]quinoxalin-2-one
CID 15497841
3-(1,3-benzodioxol-5-yl)-1-benzyl-5-(4-methoxyphenyl)piperidin-4-one
CID 18735551
6-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione
CID 125429610
N-(1,3-benzodioxol-5-ylmethyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 23765042
10-benzyl-3-methoxyacridin-9-one
CID 12751573
7-benzoyl-5-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 18592568

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one (CID 141068273) is 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one is COc1ccc(Cn2c(=O)cc(-c3ccc4c(c3)OCO4)c3ccccc32)cc1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one?
The InChIKey is KVJGXYQPFLQVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO4/c1-27-18-9-6-16(7-10-18)14-25-21-5-3-2-4-19(21)20(13-24(25)26)17-8-11-22-23(12-17)29-15-28-22/h2-13H,14-15H2,1H3.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one?
4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one has a molecular weight of 385.42 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-1-[(4-methoxyphenyl)methyl]quinolin-2-one is sourced from PubChem (CID 141068273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).