[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone

C18H23N3O — CID 46985286

IUPAC[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@H](N(C)C)C2)c2cccc(C)c2n1
InChIInChI=1S/C18H23N3O/c1-12-6-5-7-15-16(10-13(2)19-17(12)15)18(22)21-9-8-14(11-21)20(3)4/h5-7,10,14H,8-9,11H2,1-4H3/t14-/m0/s1
InChIKeyKXMOLRLYEHUCLO-AWEZNQCLSA-N
MW297.40 g/mol
LogP2.63
Rot. Bonds2

About [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone

[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone (PubChem CID 46985286) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone
PubChem CID46985286
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone
SMILESCc1cc(C(=O)N2CC[C@H](N(C)C)C2)c2cccc(C)c2n1
InChIInChI=1S/C18H23N3O/c1-12-6-5-7-15-16(10-13(2)19-17(12)15)18(22)21-9-8-14(11-21)20(3)4/h5-7,10,14H,8-9,11H2,1-4H3/t14-/m0/s1
InChIKeyKXMOLRLYEHUCLO-AWEZNQCLSA-N
XLogP2.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,8-dimethylquinolin-4-yl)-piperidin-1-ylmethanone
CID 50765986
(2,8-dimethylquinolin-4-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46291536
1,3-dihydroisoindol-2-yl-(2,8-dimethylquinolin-4-yl)methanone
CID 70719076
[3-(dimethylamino)pyrrolidin-1-yl]-(2-methylphenyl)methanone
CID 110472052
(2,8-dimethylquinolin-4-yl)-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 96575693
(2,8-dimethylquinolin-4-yl)-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]methanone
CID 96572515
(1S,5R)-3-(2,8-dimethylquinoline-4-carbonyl)-6-propyl-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70749102
(4-bromo-2-methylphenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 69150661
(2,8-dimethylquinolin-4-yl)-(1-oxa-9-azaspiro[4.6]undecan-9-yl)methanone
CID 74249309
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965
[(1R,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-(2,6,8-trimethylquinolin-4-yl)methanone
CID 70782397
(8-chloro-2-methylquinolin-4-yl)-[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]methanone
CID 72840919

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone?
The IUPAC name of [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone (CID 46985286) is [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone.
What is the SMILES notation for [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone?
The canonical SMILES for [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone is Cc1cc(C(=O)N2CC[C@H](N(C)C)C2)c2cccc(C)c2n1.
What is the InChIKey of [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone?
The InChIKey is KXMOLRLYEHUCLO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O/c1-12-6-5-7-15-16(10-13(2)19-17(12)15)18(22)21-9-8-14(11-21)20(3)4/h5-7,10,14H,8-9,11H2,1-4H3/t14-/m0/s1.
What are the key properties of [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone?
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone has a molecular weight of 297.40 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(2,8-dimethylquinolin-4-yl)methanone is sourced from PubChem (CID 46985286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).