4-(azepan-2-yl)quinoline

C15H18N2 — CID 81147055

IUPAC4-(azepan-2-yl)quinoline
SMILESc1ccc2c(C3CCCCCN3)ccnc2c1
InChIInChI=1S/C15H18N2/c1-2-7-15(16-10-5-1)13-9-11-17-14-8-4-3-6-12(13)14/h3-4,6,8-9,11,15-16H,1-2,5,7,10H2
InChIKeyLCULQOPBXWJNCJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.44
Rot. Bonds1

About 4-(azepan-2-yl)quinoline

4-(azepan-2-yl)quinoline (PubChem CID 81147055) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-(azepan-2-yl)quinoline.

Molecular Properties

Compound Name4-(azepan-2-yl)quinoline
PubChem CID81147055
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name4-(azepan-2-yl)quinoline
SMILESc1ccc2c(C3CCCCCN3)ccnc2c1
InChIInChI=1S/C15H18N2/c1-2-7-15(16-10-5-1)13-9-11-17-14-8-4-3-6-12(13)14/h3-4,6,8-9,11,15-16H,1-2,5,7,10H2
InChIKeyLCULQOPBXWJNCJ-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(azepan-2-yl)quinoline 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

5-[(2R)-pyrrolidin-2-yl]quinoline
CID 66518640
4-cyclopentylquinoline
CID 57273226
(2S)-2-naphthalen-1-ylazepane
CID 7048283
4-quinolin-4-ylazetidin-2-one
CID 55255536
2-phenyl-4-[(2R)-piperidin-2-yl]quinoline
CID 7144282
2-naphthalen-1-ylpiperidine
CID 4209523
8-methoxy-4-piperidin-2-ylquinoline
CID 82664370
4-[(2R)-piperidin-2-yl]naphthalen-1-ol
CID 171195556
5-pyrrolidin-2-ylquinoxaline
CID 104614202
4-(piperidin-2-ylmethoxy)quinoline
CID 62348463
(3aS,9aR)-1-(quinolin-4-ylmethyl)-2,3,3a,4,5,6,7,8,9,9a-decahydropyrrolo[3,2-b]azocine
CID 110136397
4-(2-ethylpyrrolidin-3-yl)quinoline
CID 63868928

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-2-yl)quinoline?
The IUPAC name of 4-(azepan-2-yl)quinoline (CID 81147055) is 4-(azepan-2-yl)quinoline.
What is the SMILES notation for 4-(azepan-2-yl)quinoline?
The canonical SMILES for 4-(azepan-2-yl)quinoline is c1ccc2c(C3CCCCCN3)ccnc2c1.
What is the InChIKey of 4-(azepan-2-yl)quinoline?
The InChIKey is LCULQOPBXWJNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-2-7-15(16-10-5-1)13-9-11-17-14-8-4-3-6-12(13)14/h3-4,6,8-9,11,15-16H,1-2,5,7,10H2.
What are the key properties of 4-(azepan-2-yl)quinoline?
4-(azepan-2-yl)quinoline has a molecular weight of 226.32 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-2-yl)quinoline is sourced from PubChem (CID 81147055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).