2-chloro-4a,8a-dihydroquinoline

C9H8ClN — CID 153000333

IUPAC2-chloro-4a,8a-dihydroquinoline
SMILESClC1=NC2C=CC=CC2C=C1
InChIInChI=1S/C9H8ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-8H
InChIKeyUYARJUNHXPUGCL-UHFFFAOYSA-N
MW165.62 g/mol
LogP2.30
Rot. Bonds

About 2-chloro-4a,8a-dihydroquinoline

2-chloro-4a,8a-dihydroquinoline (PubChem CID 153000333) has the molecular formula C9H8ClN and a molecular weight of 165.62 g/mol. Its IUPAC name is 2-chloro-4a,8a-dihydroquinoline.

Molecular Properties

Compound Name2-chloro-4a,8a-dihydroquinoline
PubChem CID153000333
Molecular FormulaC9H8ClN
Molecular Weight165.62 g/mol
Exact Mass165.03
IUPAC Name2-chloro-4a,8a-dihydroquinoline
SMILESClC1=NC2C=CC=CC2C=C1
InChIInChI=1S/C9H8ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-8H
InChIKeyUYARJUNHXPUGCL-UHFFFAOYSA-N
XLogP2.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4a,9a-Dihydroacridine
CID 89376300
6-Fluoro-2-methyl-4a,8a-dihydroquinoline
CID 141789609
6-Methyl-4a,8a-dihydroquinoline
CID 57883984
2-Ethyl-4a,8a-dihydroquinoline
CID 59921116
6-Propan-2-yl-4a,8a-dihydroquinoline
CID 59940834
2-Methyl-4a,8a-dihydroquinoline
CID 68248106
6-Ethyl-4a,8a-dihydroquinoline
CID 70345799
4a,8a-Dihydroquinoline
CID 90908791
(8aS)-2-methyl-4a,8a-dihydroquinoline
CID 118370097
(4aR)-4a,8a-dihydroquinoline
CID 122662942
2-Chloro-10a,10b-dihydrobenzo[h]quinoline
CID 126631500
6-Chloro-8-methyl-4a,8a-dihydroquinoline
CID 132011150

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4a,8a-dihydroquinoline?
The IUPAC name of 2-chloro-4a,8a-dihydroquinoline (CID 153000333) is 2-chloro-4a,8a-dihydroquinoline.
What is the SMILES notation for 2-chloro-4a,8a-dihydroquinoline?
The canonical SMILES for 2-chloro-4a,8a-dihydroquinoline is ClC1=NC2C=CC=CC2C=C1.
What is the InChIKey of 2-chloro-4a,8a-dihydroquinoline?
The InChIKey is UYARJUNHXPUGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-8H.
What are the key properties of 2-chloro-4a,8a-dihydroquinoline?
2-chloro-4a,8a-dihydroquinoline has a molecular weight of 165.62 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4a,8a-dihydroquinoline is sourced from PubChem (CID 153000333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).