2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one

C21H27N3O2 — CID 72916968

IUPAC2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one
SMILESCc1ccc(C)c2c(=O)cc(CNC3CCCN(C(=O)C4CC4)C3)[nH]c12
InChIInChI=1S/C21H27N3O2/c1-13-5-6-14(2)20-19(13)18(25)10-17(23-20)11-22-16-4-3-9-24(12-16)21(26)15-7-8-15/h5-6,10,15-16,22H,3-4,7-9,11-12H2,1-2H3,(H,23,25)
InChIKeyNWVHGGOAMDGWHW-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.64
Rot. Bonds4

About 2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one

2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one (PubChem CID 72916968) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one
PubChem CID72916968
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one
SMILESCc1ccc(C)c2c(=O)cc(CNC3CCCN(C(=O)C4CC4)C3)[nH]c12
InChIInChI=1S/C21H27N3O2/c1-13-5-6-14(2)20-19(13)18(25)10-17(23-20)11-22-16-4-3-9-24(12-16)21(26)15-7-8-15/h5-6,10,15-16,22H,3-4,7-9,11-12H2,1-2H3,(H,23,25)
InChIKeyNWVHGGOAMDGWHW-UHFFFAOYSA-N
XLogP2.64
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one with MolForge

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Related Compounds

2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one
CID 72893517
5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one
CID 72929932
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 24792136
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
cyclopropyl-[4-[(3,4-dimethylphenyl)methylamino]piperidin-1-yl]methanone
CID 43434758
2-[[(6R)-4-acetyl-6-hydroxy-1,4-diazepan-1-yl]methyl]-5,8-dimethyl-1H-quinolin-4-one
CID 97133481
1-[3-(benzylamino)piperidin-1-yl]ethanone
CID 83993665
N-[(3S)-1-(cyclopropanecarbonyl)piperidin-3-yl]-2H-triazole-4-carboxamide
CID 125159540
[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 106816549
cyclopropyl-[(3R)-3-(3,4-difluoroanilino)piperidin-1-yl]methanone
CID 25455171
(4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62718074
4-[3-(methylamino)piperidine-1-carbonyl]-1-(2,4,6-trimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 119488557

Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one?
The IUPAC name of 2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one (CID 72916968) is 2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one is Cc1ccc(C)c2c(=O)cc(CNC3CCCN(C(=O)C4CC4)C3)[nH]c12.
What is the InChIKey of 2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one?
The InChIKey is NWVHGGOAMDGWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-13-5-6-14(2)20-19(13)18(25)10-17(23-20)11-22-16-4-3-9-24(12-16)21(26)15-7-8-15/h5-6,10,15-16,22H,3-4,7-9,11-12H2,1-2H3,(H,23,25).
What are the key properties of 2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one?
2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one has a molecular weight of 353.47 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 72916968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).