4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one

C24H27N3O4 — CID 22348261

IUPAC4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one
SMILESCOc1ccc2c(c1)c(NC1CCN(Cc3ccc4c(c3)OCO4)CC1)cc(=O)n2C
InChIInChI=1S/C24H27N3O4/c1-26-21-5-4-18(29-2)12-19(21)20(13-24(26)28)25-17-7-9-27(10-8-17)14-16-3-6-22-23(11-16)31-15-30-22/h3-6,11-13,17,25H,7-10,14-15H2,1-2H3
InChIKeyBWWACMBLBNGFJZ-UHFFFAOYSA-N
MW421.50 g/mol
LogP3.35
Rot. Bonds5

About 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one

4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one (PubChem CID 22348261) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one
PubChem CID22348261
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one
SMILESCOc1ccc2c(c1)c(NC1CCN(Cc3ccc4c(c3)OCO4)CC1)cc(=O)n2C
InChIInChI=1S/C24H27N3O4/c1-26-21-5-4-18(29-2)12-19(21)20(13-24(26)28)25-17-7-9-27(10-8-17)14-16-3-6-22-23(11-16)31-15-30-22/h3-6,11-13,17,25H,7-10,14-15H2,1-2H3
InChIKeyBWWACMBLBNGFJZ-UHFFFAOYSA-N
XLogP3.35
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one with MolForge

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Related Compounds

1,2-Dihydro-2-(3,4-(methylenedioxy)-phenyl)-4(3H)-quinazolinone
CID 650393
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-(1-propylpiperidin-4-yl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 126696344
4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-1-benzyl-6-chloroquinolin-2(1H)-one
CID 22348140
N-[2-(1,3-benzodioxol-5-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3,3-dimethylbutanamide
CID 18574682
N-(2-(benzo[d][1,3]dioxol-5-yl)-2-(4-(4-methoxyphenyl)piperazin-1-yl)ethyl)cyclohexanecarboxamide
CID 22583924
3-Benzo[1,3]dioxol-5-yl-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 10961112
3-Benzo[1,3]dioxol-4-yl-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 11102188
3-Benzo[1,3]dioxol-5-yl-2-(3-phenyl-acryloyl)-1,2,3,4-tetrahydro-pyrrolo[3,4-b]quinolin-9-one
CID 11212743
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] N-[4-(4-methoxyphenyl)piperazin-1-yl]carbamodithioate
CID 137648145
1-(1,3-Benzodioxol-5-ylmethyl)-4-(2-methylphenyl)piperazine
CID 791168
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,3-dimethylphenyl)ethanediamide
CID 2265965
4-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-1-methyl-3-nitroquinolin-2(1H)-one
CID 3619198

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one?
The IUPAC name of 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one (CID 22348261) is 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one.
What is the SMILES notation for 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one?
The canonical SMILES for 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one is COc1ccc2c(c1)c(NC1CCN(Cc3ccc4c(c3)OCO4)CC1)cc(=O)n2C.
What is the InChIKey of 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one?
The InChIKey is BWWACMBLBNGFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-26-21-5-4-18(29-2)12-19(21)20(13-24(26)28)25-17-7-9-27(10-8-17)14-16-3-6-22-23(11-16)31-15-30-22/h3-6,11-13,17,25H,7-10,14-15H2,1-2H3.
What are the key properties of 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one?
4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one has a molecular weight of 421.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-methoxy-1-methylquinolin-2-one is sourced from PubChem (CID 22348261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).