8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline

C15H20ClN — CID 116540409

IUPAC8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline
SMILESCC1(C2CCCc3cccnc32)CCC(Cl)C1
InChIInChI=1S/C15H20ClN/c1-15(8-7-12(16)10-15)13-6-2-4-11-5-3-9-17-14(11)13/h3,5,9,12-13H,2,4,6-8,10H2,1H3
InChIKeyTURPEVPRSLUIDX-UHFFFAOYSA-N
MW249.78 g/mol
LogP4.30
Rot. Bonds1

About 8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline

8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline (PubChem CID 116540409) has the molecular formula C15H20ClN and a molecular weight of 249.78 g/mol. Its IUPAC name is 8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline
PubChem CID116540409
Molecular FormulaC15H20ClN
Molecular Weight249.78 g/mol
Exact Mass249.13
IUPAC Name8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline
SMILESCC1(C2CCCc3cccnc32)CCC(Cl)C1
InChIInChI=1S/C15H20ClN/c1-15(8-7-12(16)10-15)13-6-2-4-11-5-3-9-17-14(11)13/h3,5,9,12-13H,2,4,6-8,10H2,1H3
InChIKeyTURPEVPRSLUIDX-UHFFFAOYSA-N
XLogP4.30
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.78
LogP ≤ 54.30
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-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol
CID 79739365
3,5-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine
CID 79745397
(8S)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 164583093
(8R)-8-fluoro-5,6,7,8-tetrahydroquinoline
CID 162400504
8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline
CID 79748728
1-(5,6,7,8-tetrahydroquinolin-8-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 79723609
trimethyl(5,6,7,8-tetrahydroquinolin-8-yl)silane
CID 130535889
2-(5,6,7,8-tetrahydroquinolin-8-yl)propan-2-ol
CID 79740095
2-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol
CID 106873740
4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol
CID 79723752
(8S)-5,6,7,8-tetrahydroquinolin-8-ol
CID 11480532
(8S)-5,6,7,8-tetrahydroquinolin-8-amine
CID 12031071

Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline (CID 116540409) is 8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline is CC1(C2CCCc3cccnc32)CCC(Cl)C1.
What is the InChIKey of 8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is TURPEVPRSLUIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN/c1-15(8-7-12(16)10-15)13-6-2-4-11-5-3-9-17-14(11)13/h3,5,9,12-13H,2,4,6-8,10H2,1H3.
What are the key properties of 8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline?
8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 249.78 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-1-methylcyclopentyl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 116540409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).