6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline

C15H22N2 — CID 39247840

IUPAC6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(cc1N1CCCCCC1)CCCN2
InChIInChI=1S/C15H22N2/c1-2-4-11-17(10-3-1)14-7-8-15-13(12-14)6-5-9-16-15/h7-8,12,16H,1-6,9-11H2
InChIKeyWGLZWFUFLRFLJQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.43
Rot. Bonds1

About 6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline

6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 39247840) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID39247840
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESc1cc2c(cc1N1CCCCCC1)CCCN2
InChIInChI=1S/C15H22N2/c1-2-4-11-17(10-3-1)14-7-8-15-13(12-14)6-5-9-16-15/h7-8,12,16H,1-6,9-11H2
InChIKeyWGLZWFUFLRFLJQ-UHFFFAOYSA-N
XLogP3.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

7-piperazin-1-yl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 83853200
7-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 52983751
1-(13-piperidin-1-yl-5-tricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaenyl)piperidine
CID 71530997
6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 28776156
2-(1,2,3,4-tetrahydroquinolin-6-yl)-7-oxa-2-azaspiro[3.5]nonane
CID 79677672
6-piperidin-1-yl-1,2,3,4-tetrahydroquinolin-3-ol
CID 107447221
6-[(2S)-2-ethylpiperidin-1-yl]-1,2,3,4-tetrahydroquinoline
CID 97030516
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81214611
N,N,4-trimethyl-1-(1,2,3,4-tetrahydroquinolin-6-yl)pyrrolidin-3-amine
CID 81463756
1-[4-(1,2,3,4-tetrahydroquinolin-7-yl)-1,4-diazepan-1-yl]ethanone
CID 81215154
3-(1,2,3,4-tetrahydroquinolin-6-yl)-1,3-oxazinan-2-one
CID 62635265
6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one
CID 168515878

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline (CID 39247840) is 6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline is c1cc2c(cc1N1CCCCCC1)CCCN2.
What is the InChIKey of 6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is WGLZWFUFLRFLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-2-4-11-17(10-3-1)14-7-8-15-13(12-14)6-5-9-16-15/h7-8,12,16H,1-6,9-11H2.
What are the key properties of 6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline?
6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 230.35 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 39247840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).