4,7-dichloro-2-cyclopentyl-8-methylquinoline

C15H15Cl2N — CID 113390343

IUPAC4,7-dichloro-2-cyclopentyl-8-methylquinoline
SMILESCc1c(Cl)ccc2c(Cl)cc(C3CCCC3)nc12
InChIInChI=1S/C15H15Cl2N/c1-9-12(16)7-6-11-13(17)8-14(18-15(9)11)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyIQTDOSFBDPDWMC-UHFFFAOYSA-N
MW280.20 g/mol
LogP5.51
Rot. Bonds1

About 4,7-dichloro-2-cyclopentyl-8-methylquinoline

4,7-dichloro-2-cyclopentyl-8-methylquinoline (PubChem CID 113390343) has the molecular formula C15H15Cl2N and a molecular weight of 280.20 g/mol. Its IUPAC name is 4,7-dichloro-2-cyclopentyl-8-methylquinoline.

Molecular Properties

Compound Name4,7-dichloro-2-cyclopentyl-8-methylquinoline
PubChem CID113390343
Molecular FormulaC15H15Cl2N
Molecular Weight280.20 g/mol
Exact Mass279.06
IUPAC Name4,7-dichloro-2-cyclopentyl-8-methylquinoline
SMILESCc1c(Cl)ccc2c(Cl)cc(C3CCCC3)nc12
InChIInChI=1S/C15H15Cl2N/c1-9-12(16)7-6-11-13(17)8-14(18-15(9)11)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3
InChIKeyIQTDOSFBDPDWMC-UHFFFAOYSA-N
XLogP5.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.20
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2-cyclopentyl-8-methylquinoline?
The IUPAC name of 4,7-dichloro-2-cyclopentyl-8-methylquinoline (CID 113390343) is 4,7-dichloro-2-cyclopentyl-8-methylquinoline.
What is the SMILES notation for 4,7-dichloro-2-cyclopentyl-8-methylquinoline?
The canonical SMILES for 4,7-dichloro-2-cyclopentyl-8-methylquinoline is Cc1c(Cl)ccc2c(Cl)cc(C3CCCC3)nc12.
What is the InChIKey of 4,7-dichloro-2-cyclopentyl-8-methylquinoline?
The InChIKey is IQTDOSFBDPDWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N/c1-9-12(16)7-6-11-13(17)8-14(18-15(9)11)10-4-2-3-5-10/h6-8,10H,2-5H2,1H3.
What are the key properties of 4,7-dichloro-2-cyclopentyl-8-methylquinoline?
4,7-dichloro-2-cyclopentyl-8-methylquinoline has a molecular weight of 280.20 g/mol, XLogP of 5.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-cyclopentyl-8-methylquinoline is sourced from PubChem (CID 113390343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).