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

C24H25F2N3O4 — CID 22348219

IUPAC4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-(difluoromethoxy)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(OC(F)F)ccc21
InChIInChI=1S/C24H25F2N3O4/c1-28-20-4-3-17(33-24(25)26)11-18(20)19(12-23(28)30)27-16-6-8-29(9-7-16)13-15-2-5-21-22(10-15)32-14-31-21/h2-5,10-12,16,24,27H,6-9,13-14H2,1H3
InChIKeyLZVOCVBJCLTFOL-UHFFFAOYSA-N
MW457.48 g/mol
LogP3.95
Rot. Bonds6

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

4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-(difluoromethoxy)-1-methylquinolin-2-one (PubChem CID 22348219) has the molecular formula C24H25F2N3O4 and a molecular weight of 457.48 g/mol. Its IUPAC name is 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-(difluoromethoxy)-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-(difluoromethoxy)-1-methylquinolin-2-one
PubChem CID22348219
Molecular FormulaC24H25F2N3O4
Molecular Weight457.48 g/mol
Exact Mass457.18
IUPAC Name4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-(difluoromethoxy)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(OC(F)F)ccc21
InChIInChI=1S/C24H25F2N3O4/c1-28-20-4-3-17(33-24(25)26)11-18(20)19(12-23(28)30)27-16-6-8-29(9-7-16)13-15-2-5-21-22(10-15)32-14-31-21/h2-5,10-12,16,24,27H,6-9,13-14H2,1H3
InChIKeyLZVOCVBJCLTFOL-UHFFFAOYSA-N
XLogP3.95
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

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
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
1-allyl-N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54679959
4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-6-chloroquinolin-2(1H)-one
CID 20817761
4-(1-(Benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-6-chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carbonitrile
CID 20817762
4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-6-chloro-1-methyl-3-(pyrrolidine-1-carbonyl)quinolin-2(1H)-one
CID 20817763
Methyl 4-(1-(benzo[d][1,3]dioxol-5-ylmethyl)piperidin-4-ylamino)-6-chloro-1-methyl-2-oxo-1,2-dihydroquinoline-3-carboxylate
CID 20817864

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-(difluoromethoxy)-1-methylquinolin-2-one?
The IUPAC name of 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-(difluoromethoxy)-1-methylquinolin-2-one (CID 22348219) is 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-(difluoromethoxy)-1-methylquinolin-2-one.
What is the SMILES notation for 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-(difluoromethoxy)-1-methylquinolin-2-one?
The canonical SMILES for 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-(difluoromethoxy)-1-methylquinolin-2-one is Cn1c(=O)cc(NC2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(OC(F)F)ccc21.
What is the InChIKey of 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-(difluoromethoxy)-1-methylquinolin-2-one?
The InChIKey is LZVOCVBJCLTFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O4/c1-28-20-4-3-17(33-24(25)26)11-18(20)19(12-23(28)30)27-16-6-8-29(9-7-16)13-15-2-5-21-22(10-15)32-14-31-21/h2-5,10-12,16,24,27H,6-9,13-14H2,1H3.
What are the key properties of 4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-(difluoromethoxy)-1-methylquinolin-2-one?
4-[[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]amino]-6-(difluoromethoxy)-1-methylquinolin-2-one has a molecular weight of 457.48 g/mol, XLogP of 3.95, 6 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-(difluoromethoxy)-1-methylquinolin-2-one is sourced from PubChem (CID 22348219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).