5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one

C22H29N3O2 — CID 72929932

IUPAC5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc(C)c2c(=O)cc(CN3CCC[C@H]3C(=O)N3CCCCC3)[nH]c12
InChIInChI=1S/C22H29N3O2/c1-15-8-9-16(2)21-20(15)19(26)13-17(23-21)14-25-12-6-7-18(25)22(27)24-10-4-3-5-11-24/h8-9,13,18H,3-7,10-12,14H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyQIVPLQUEKHTGGL-SFHVURJKSA-N
MW367.49 g/mol
LogP3.12
Rot. Bonds3

About 5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one

5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one (PubChem CID 72929932) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one
PubChem CID72929932
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one
SMILESCc1ccc(C)c2c(=O)cc(CN3CCC[C@H]3C(=O)N3CCCCC3)[nH]c12
InChIInChI=1S/C22H29N3O2/c1-15-8-9-16(2)21-20(15)19(26)13-17(23-21)14-25-12-6-7-18(25)22(27)24-10-4-3-5-11-24/h8-9,13,18H,3-7,10-12,14H2,1-2H3,(H,23,26)/t18-/m0/s1
InChIKeyQIVPLQUEKHTGGL-SFHVURJKSA-N
XLogP3.12
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one with MolForge

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Related Compounds

(2R)-1-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]pyrrolidine-2-carboxamide
CID 91838589
2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-5,8-dimethyl-1H-quinolin-4-one
CID 72857594
2-[[[1-(cyclopropanecarbonyl)piperidin-3-yl]amino]methyl]-5,8-dimethyl-1H-quinolin-4-one
CID 72916968
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5,8-dimethyl-1H-quinolin-4-one
CID 72893517
2-[[(4aS,8aR)-4a-(hydroxymethyl)-1,2,3,4,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]methyl]-5,8-dimethyl-1H-quinolin-4-one
CID 72921968
1-[(8-fluoro-4-oxo-1H-quinolin-2-yl)methyl]-N-methylpiperidine-2-carboxamide
CID 91828547
2-[(5,8-dimethyl-4-oxo-1H-quinolin-2-yl)methyl]-8-methyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 72940848
[1-[(5-ethylfuran-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 62346739
[1-[(4-hydroxyphenyl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61175122
[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]pyrrolidin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 134803397
[1-[(5-ethylthiophen-2-yl)methyl]pyrrolidin-2-yl]-piperazin-1-ylmethanone
CID 61177242

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one?
The IUPAC name of 5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one (CID 72929932) is 5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one.
What is the SMILES notation for 5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one?
The canonical SMILES for 5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one is Cc1ccc(C)c2c(=O)cc(CN3CCC[C@H]3C(=O)N3CCCCC3)[nH]c12.
What is the InChIKey of 5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one?
The InChIKey is QIVPLQUEKHTGGL-SFHVURJKSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-15-8-9-16(2)21-20(15)19(26)13-17(23-21)14-25-12-6-7-18(25)22(27)24-10-4-3-5-11-24/h8-9,13,18H,3-7,10-12,14H2,1-2H3,(H,23,26)/t18-/m0/s1.
What are the key properties of 5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one?
5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one has a molecular weight of 367.49 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[[(2S)-2-(piperidine-1-carbonyl)pyrrolidin-1-yl]methyl]-1H-quinolin-4-one is sourced from PubChem (CID 72929932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).