(2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone

C20H22N4O — CID 95325581

IUPAC(2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
SMILESCc1ccc2nc(C)c(C(=O)N3CCC[C@H](n4ccnc4)C3)cc2c1
InChIInChI=1S/C20H22N4O/c1-14-5-6-19-16(10-14)11-18(15(2)22-19)20(25)23-8-3-4-17(12-23)24-9-7-21-13-24/h5-7,9-11,13,17H,3-4,8,12H2,1-2H3/t17-/m0/s1
InChIKeyKTQQUCLLRCTCHT-KRWDZBQOSA-N
MW334.42 g/mol
LogP3.53
Rot. Bonds2

About (2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone

(2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone (PubChem CID 95325581) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is (2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
PubChem CID95325581
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name(2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
SMILESCc1ccc2nc(C)c(C(=O)N3CCC[C@H](n4ccnc4)C3)cc2c1
InChIInChI=1S/C20H22N4O/c1-14-5-6-19-16(10-14)11-18(15(2)22-19)20(25)23-8-3-4-17(12-23)24-9-7-21-13-24/h5-7,9-11,13,17H,3-4,8,12H2,1-2H3/t17-/m0/s1
InChIKeyKTQQUCLLRCTCHT-KRWDZBQOSA-N
XLogP3.53
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,6-dimethylquinolin-3-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124575490
(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561139
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(5-methylfuro[3,2-b]pyridin-2-yl)methanone
CID 95340989
(2-fluoro-4-methoxyphenyl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95341019
3-[(3S)-3-imidazol-1-ylpiperidine-1-carbonyl]benzamide
CID 95569094
1,4-diazepan-1-yl-(2,6-dimethylquinolin-3-yl)methanone
CID 46996879
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 95345476
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312812
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 95340385
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(3-pyrrol-1-ylphenyl)methanone
CID 95313622
(2S)-4-(2,6-dimethylquinoline-3-carbonyl)morpholine-2-carboxylic acid
CID 124699307
[(3S)-3-imidazol-1-ylpiperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 95313752

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone (CID 95325581) is (2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone is Cc1ccc2nc(C)c(C(=O)N3CCC[C@H](n4ccnc4)C3)cc2c1.
What is the InChIKey of (2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone?
The InChIKey is KTQQUCLLRCTCHT-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-5-6-19-16(10-14)11-18(15(2)22-19)20(25)23-8-3-4-17(12-23)24-9-7-21-13-24/h5-7,9-11,13,17H,3-4,8,12H2,1-2H3/t17-/m0/s1.
What are the key properties of (2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone?
(2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone has a molecular weight of 334.42 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylquinolin-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 95325581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).