[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C21H25N3O — CID 109196863

IUPAC[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(N2CCCCCC2)cn1)N1CCCc2ccccc21
InChIInChI=1S/C21H25N3O/c25-21(24-15-7-9-17-8-3-4-10-20(17)24)19-12-11-18(16-22-19)23-13-5-1-2-6-14-23/h3-4,8,10-12,16H,1-2,5-7,9,13-15H2
InChIKeyRVYRLWNLZJRCEW-UHFFFAOYSA-N
MW335.45 g/mol
LogP4.05
Rot. Bonds2

About [5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 109196863) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is [5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID109196863
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(N2CCCCCC2)cn1)N1CCCc2ccccc21
InChIInChI=1S/C21H25N3O/c25-21(24-15-7-9-17-8-3-4-10-20(17)24)19-12-11-18(16-22-19)23-13-5-1-2-6-14-23/h3-4,8,10-12,16H,1-2,5-7,9,13-15H2
InChIKeyRVYRLWNLZJRCEW-UHFFFAOYSA-N
XLogP4.05
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109196432
ethyl 4-[6-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109194191
(5-bromo-2-pyridinyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 62998701
(2-methyl-2,3-dihydroindol-1-yl)-(5-piperidin-1-yl-2-pyridinyl)methanone
CID 109182883
(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109197060
3,4-dihydro-2H-quinolin-1-yl-(6-piperidin-1-yl-2-pyridinyl)methanone
CID 84573646
[6-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 84573748
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
[5-(cyclopropylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109180125
azepan-1-yl-(5-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109182048
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375

Frequently Asked Questions

What is the IUPAC name of [5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 109196863) is [5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc(N2CCCCCC2)cn1)N1CCCc2ccccc21.
What is the InChIKey of [5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is RVYRLWNLZJRCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-21(24-15-7-9-17-8-3-4-10-20(17)24)19-12-11-18(16-22-19)23-13-5-1-2-6-14-23/h3-4,8,10-12,16H,1-2,5-7,9,13-15H2.
What are the key properties of [5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?
[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 335.45 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 109196863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).