6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline

C17H20ClN — CID 102221947

IUPAC6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2c1cc(Cl)cc2C1=CCCC1
InChIInChI=1S/C17H20ClN/c1-11-10-17(2,3)19-16-14(11)8-13(18)9-15(16)12-6-4-5-7-12/h6,8-10,19H,4-5,7H2,1-3H3
InChIKeyCIYKTSVURVXXCR-UHFFFAOYSA-N
MW273.81 g/mol
LogP5.51
Rot. Bonds1

About 6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline

6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline (PubChem CID 102221947) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline.

Molecular Properties

Compound Name6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline
PubChem CID102221947
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline
SMILESCC1=CC(C)(C)Nc2c1cc(Cl)cc2C1=CCCC1
InChIInChI=1S/C17H20ClN/c1-11-10-17(2,3)19-16-14(11)8-13(18)9-15(16)12-6-4-5-7-12/h6,8-10,19H,4-5,7H2,1-3H3
InChIKeyCIYKTSVURVXXCR-UHFFFAOYSA-N
XLogP5.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.81
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline?
The IUPAC name of 6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline (CID 102221947) is 6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline.
What is the SMILES notation for 6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline?
The canonical SMILES for 6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline is CC1=CC(C)(C)Nc2c1cc(Cl)cc2C1=CCCC1.
What is the InChIKey of 6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline?
The InChIKey is CIYKTSVURVXXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c1-11-10-17(2,3)19-16-14(11)8-13(18)9-15(16)12-6-4-5-7-12/h6,8-10,19H,4-5,7H2,1-3H3.
What are the key properties of 6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline?
6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline has a molecular weight of 273.81 g/mol, XLogP of 5.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(cyclopenten-1-yl)-2,2,4-trimethyl-1H-quinoline is sourced from PubChem (CID 102221947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).