1-chloro-2,3,4,6-tetrahydro-1H-quinolizine

C9H12ClN — CID 140516226

IUPAC1-chloro-2,3,4,6-tetrahydro-1H-quinolizine
SMILESClC1CCCN2CC=CC=C12
InChIInChI=1S/C9H12ClN/c10-8-4-3-7-11-6-2-1-5-9(8)11/h1-2,5,8H,3-4,6-7H2
InChIKeyNQDTYJIJNFGISK-UHFFFAOYSA-N
MW169.66 g/mol
LogP2.14
Rot. Bonds

About 1-chloro-2,3,4,6-tetrahydro-1H-quinolizine

1-chloro-2,3,4,6-tetrahydro-1H-quinolizine (PubChem CID 140516226) has the molecular formula C9H12ClN and a molecular weight of 169.66 g/mol. Its IUPAC name is 1-chloro-2,3,4,6-tetrahydro-1H-quinolizine.

Molecular Properties

Compound Name1-chloro-2,3,4,6-tetrahydro-1H-quinolizine
PubChem CID140516226
Molecular FormulaC9H12ClN
Molecular Weight169.66 g/mol
Exact Mass169.07
IUPAC Name1-chloro-2,3,4,6-tetrahydro-1H-quinolizine
SMILESClC1CCCN2CC=CC=C12
InChIInChI=1S/C9H12ClN/c10-8-4-3-7-11-6-2-1-5-9(8)11/h1-2,5,8H,3-4,6-7H2
InChIKeyNQDTYJIJNFGISK-UHFFFAOYSA-N
XLogP2.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.66
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(6-chlorocyclohexen-1-yl)piperidine
CID 12512496
1-methyl-6-pyrrolidin-1-yl-2H-pyridine
CID 56609190
1-azabicyclo[4.3.1]dec-3-en-10-one
CID 122232704
1-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-2-chloroethanone
CID 70604856
1,2,3,5-tetrahydroimidazo[1,2-a]pyridin-1-ium bromide
CID 139030560
2-(3-chloropiperidin-1-yl)-3-methylpyridine
CID 63392389
4-chloro-1-(5-fluoropyrimidin-2-yl)azepane
CID 130671020
1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-2-carboxylic acid;hydrochloride
CID 141214757
1,2,3,5-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 67427619
2-(3,4,4a,5-tetrahydro-2H-quinolin-1-ylmethylidene)propanedioic acid
CID 67900144
2-(3,4,4a,5-tetrahydro-2H-quinolin-1-yl)-1-phenylethanone
CID 70632091
1-[1-(cyclopropylmethyl)-2H-pyridin-6-yl]-4-(1-cyclopropylpiperidin-4-yl)-1,4-diazepane
CID 141430042

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3,4,6-tetrahydro-1H-quinolizine?
The IUPAC name of 1-chloro-2,3,4,6-tetrahydro-1H-quinolizine (CID 140516226) is 1-chloro-2,3,4,6-tetrahydro-1H-quinolizine.
What is the SMILES notation for 1-chloro-2,3,4,6-tetrahydro-1H-quinolizine?
The canonical SMILES for 1-chloro-2,3,4,6-tetrahydro-1H-quinolizine is ClC1CCCN2CC=CC=C12.
What is the InChIKey of 1-chloro-2,3,4,6-tetrahydro-1H-quinolizine?
The InChIKey is NQDTYJIJNFGISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN/c10-8-4-3-7-11-6-2-1-5-9(8)11/h1-2,5,8H,3-4,6-7H2.
What are the key properties of 1-chloro-2,3,4,6-tetrahydro-1H-quinolizine?
1-chloro-2,3,4,6-tetrahydro-1H-quinolizine has a molecular weight of 169.66 g/mol, XLogP of 2.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3,4,6-tetrahydro-1H-quinolizine is sourced from PubChem (CID 140516226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).