2-chloro-3-cyclopentylidene-2-methylquinoline

C15H16ClN — CID 54323096

IUPAC2-chloro-3-cyclopentylidene-2-methylquinoline
SMILESCC1(Cl)N=c2ccccc2=CC1=C1CCCC1
InChIInChI=1S/C15H16ClN/c1-15(16)13(11-6-2-3-7-11)10-12-8-4-5-9-14(12)17-15/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeySTADOXAUXOAOEF-UHFFFAOYSA-N
MW245.75 g/mol
LogP2.93
Rot. Bonds

About 2-chloro-3-cyclopentylidene-2-methylquinoline

2-chloro-3-cyclopentylidene-2-methylquinoline (PubChem CID 54323096) has the molecular formula C15H16ClN and a molecular weight of 245.75 g/mol. Its IUPAC name is 2-chloro-3-cyclopentylidene-2-methylquinoline.

Molecular Properties

Compound Name2-chloro-3-cyclopentylidene-2-methylquinoline
PubChem CID54323096
Molecular FormulaC15H16ClN
Molecular Weight245.75 g/mol
Exact Mass245.10
IUPAC Name2-chloro-3-cyclopentylidene-2-methylquinoline
SMILESCC1(Cl)N=c2ccccc2=CC1=C1CCCC1
InChIInChI=1S/C15H16ClN/c1-15(16)13(11-6-2-3-7-11)10-12-8-4-5-9-14(12)17-15/h4-5,8-10H,2-3,6-7H2,1H3
InChIKeySTADOXAUXOAOEF-UHFFFAOYSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-cyclopentylidene-2-methylquinoline?
The IUPAC name of 2-chloro-3-cyclopentylidene-2-methylquinoline (CID 54323096) is 2-chloro-3-cyclopentylidene-2-methylquinoline.
What is the SMILES notation for 2-chloro-3-cyclopentylidene-2-methylquinoline?
The canonical SMILES for 2-chloro-3-cyclopentylidene-2-methylquinoline is CC1(Cl)N=c2ccccc2=CC1=C1CCCC1.
What is the InChIKey of 2-chloro-3-cyclopentylidene-2-methylquinoline?
The InChIKey is STADOXAUXOAOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN/c1-15(16)13(11-6-2-3-7-11)10-12-8-4-5-9-14(12)17-15/h4-5,8-10H,2-3,6-7H2,1H3.
What are the key properties of 2-chloro-3-cyclopentylidene-2-methylquinoline?
2-chloro-3-cyclopentylidene-2-methylquinoline has a molecular weight of 245.75 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-cyclopentylidene-2-methylquinoline is sourced from PubChem (CID 54323096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).