(2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone

C23H25N3O — CID 55764274

IUPAC(2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
SMILESCc1ccc2nc(C)c(C(=O)N3CCCCCC3c3ccncc3)cc2c1
InChIInChI=1S/C23H25N3O/c1-16-7-8-21-19(14-16)15-20(17(2)25-21)23(27)26-13-5-3-4-6-22(26)18-9-11-24-12-10-18/h7-12,14-15,22H,3-6,13H2,1-2H3
InChIKeyPGKRPANHAAVBIJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.00
Rot. Bonds2

About (2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone

(2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone (PubChem CID 55764274) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
PubChem CID55764274
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
SMILESCc1ccc2nc(C)c(C(=O)N3CCCCCC3c3ccncc3)cc2c1
InChIInChI=1S/C23H25N3O/c1-16-7-8-21-19(14-16)15-20(17(2)25-21)23(27)26-13-5-3-4-6-22(26)18-9-11-24-12-10-18/h7-12,14-15,22H,3-6,13H2,1-2H3
InChIKeyPGKRPANHAAVBIJ-UHFFFAOYSA-N
XLogP5.00
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-dimethylquinolin-3-yl)-[2-(1-methylpyrrol-2-yl)azepan-1-yl]methanone
CID 24685120
(5-methyl-1-benzofuran-2-yl)-[(2R)-2-pyridin-4-ylazepan-1-yl]methanone
CID 94808587
4-methyl-2-(2-pyridin-4-ylazepane-1-carbonyl)benzenesulfonamide
CID 166186122
[(2R)-2-(aminomethyl)pyrrolidin-1-yl]-(2,6-dimethylquinolin-3-yl)methanone
CID 124699298
(7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
CID 94249778
(6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92627940
(2-chloro-4,5-difluorophenyl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 55764729
methyl 1-(2,6-dimethylquinoline-3-carbonyl)piperidine-4-carboxylate
CID 51284162
4-(2,6-dimethylquinoline-3-carbonyl)-3-methylpiperazin-2-one
CID 46994284
2-(2,5-dimethylphenyl)sulfanyl-1-(2-pyridin-4-ylazepan-1-yl)ethanone
CID 55764276
(7-fluoro-2-methylquinolin-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 18127031
(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)-(2-pyridin-4-ylazepan-1-yl)methanone
CID 78885056

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone?
The IUPAC name of (2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone (CID 55764274) is (2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone.
What is the SMILES notation for (2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone?
The canonical SMILES for (2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone is Cc1ccc2nc(C)c(C(=O)N3CCCCCC3c3ccncc3)cc2c1.
What is the InChIKey of (2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone?
The InChIKey is PGKRPANHAAVBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-16-7-8-21-19(14-16)15-20(17(2)25-21)23(27)26-13-5-3-4-6-22(26)18-9-11-24-12-10-18/h7-12,14-15,22H,3-6,13H2,1-2H3.
What are the key properties of (2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone?
(2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone has a molecular weight of 359.47 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylquinolin-3-yl)-(2-pyridin-4-ylazepan-1-yl)methanone is sourced from PubChem (CID 55764274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).