6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline

C9H11Cl2N — CID 155677435

IUPAC6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline
SMILESClC1(Cl)C=CC2=C(CCCN2)C1
InChIInChI=1S/C9H11Cl2N/c10-9(11)4-3-8-7(6-9)2-1-5-12-8/h3-4,12H,1-2,5-6H2
InChIKeyZFXXFOOCFPRGAM-UHFFFAOYSA-N
MW204.10 g/mol
LogP2.76
Rot. Bonds

About 6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline

6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline (PubChem CID 155677435) has the molecular formula C9H11Cl2N and a molecular weight of 204.10 g/mol. Its IUPAC name is 6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline.

Molecular Properties

Compound Name6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline
PubChem CID155677435
Molecular FormulaC9H11Cl2N
Molecular Weight204.10 g/mol
Exact Mass203.03
IUPAC Name6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline
SMILESClC1(Cl)C=CC2=C(CCCN2)C1
InChIInChI=1S/C9H11Cl2N/c10-9(11)4-3-8-7(6-9)2-1-5-12-8/h3-4,12H,1-2,5-6H2
InChIKeyZFXXFOOCFPRGAM-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.10
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4,5,6-hexahydrocyclopenta[b]azepine
CID 20608513
7-chloro-2,3,4,5,6,7-hexahydro-1H-1-benzazepine
CID 70326507
1,2,3,4,5,6-hexahydrocyclohepta[b]pyrrole
CID 145189631
7-bromo-1,2,3,4,5,6-hexahydroquinoline
CID 177010542
1,2,3,4,6,7-hexahydro-1-benzazepin-5-one
CID 143420889
5,5-dichloro-1,2-dimethylcyclohexa-1,3-diene
CID 141130315
2,3,4,5-tetrahydro-1H-pyrido[3,2-b]azepine
CID 118023477
ethane;2,3,4,7-tetrahydro-1H-cyclohepta[b]pyridine
CID 145121568
cyclopropylmethyl 2,3,4,5-tetrahydro-1H-1,6-naphthyridine-6-carboxylate
CID 176657297
4,4-dichlorocyclohexa-1,5-diene-1-thiol
CID 150944690
2,3,4,5,6,7-hexahydro-1H-quinolin-8-one
CID 13268285
6-fluoro-2,6-dimethyl-2,3,4,5-tetrahydro-1H-quinoline
CID 23215466

Frequently Asked Questions

What is the IUPAC name of 6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline?
The IUPAC name of 6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline (CID 155677435) is 6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline.
What is the SMILES notation for 6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline?
The canonical SMILES for 6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline is ClC1(Cl)C=CC2=C(CCCN2)C1.
What is the InChIKey of 6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline?
The InChIKey is ZFXXFOOCFPRGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N/c10-9(11)4-3-8-7(6-9)2-1-5-12-8/h3-4,12H,1-2,5-6H2.
What are the key properties of 6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline?
6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline has a molecular weight of 204.10 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dichloro-2,3,4,5-tetrahydro-1H-quinoline is sourced from PubChem (CID 155677435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).