9-chloro-2,7-dimethyl-6H-imidazo[4,5-f]quinoline

C12H10ClN3 — CID 135712931

IUPAC9-chloro-2,7-dimethyl-6H-imidazo[4,5-f]quinoline
SMILESCc1nc2ccc3[nH]c(C)cc(Cl)c3c2n1
InChIInChI=1S/C12H10ClN3/c1-6-5-8(13)11-9(14-6)3-4-10-12(11)16-7(2)15-10/h3-5,14H,1-2H3
InChIKeyAZEIRIDDKZWJCP-UHFFFAOYSA-N
MW231.69 g/mol
LogP3.38
Rot. Bonds

About 9-chloro-2,7-dimethyl-6H-imidazo[4,5-f]quinoline

9-chloro-2,7-dimethyl-6H-imidazo[4,5-f]quinoline (PubChem CID 135712931) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 9-chloro-2,7-dimethyl-6H-imidazo[4,5-f]quinoline.

Molecular Properties

Compound Name9-chloro-2,7-dimethyl-6H-imidazo[4,5-f]quinoline
PubChem CID135712931
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name9-chloro-2,7-dimethyl-6H-imidazo[4,5-f]quinoline
SMILESCc1nc2ccc3[nH]c(C)cc(Cl)c3c2n1
InChIInChI=1S/C12H10ClN3/c1-6-5-8(13)11-9(14-6)3-4-10-12(11)16-7(2)15-10/h3-5,14H,1-2H3
InChIKeyAZEIRIDDKZWJCP-UHFFFAOYSA-N
XLogP3.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-2,7-dimethyl-6H-imidazo[4,5-f]quinoline?
The IUPAC name of 9-chloro-2,7-dimethyl-6H-imidazo[4,5-f]quinoline (CID 135712931) is 9-chloro-2,7-dimethyl-6H-imidazo[4,5-f]quinoline.
What is the SMILES notation for 9-chloro-2,7-dimethyl-6H-imidazo[4,5-f]quinoline?
The canonical SMILES for 9-chloro-2,7-dimethyl-6H-imidazo[4,5-f]quinoline is Cc1nc2ccc3[nH]c(C)cc(Cl)c3c2n1.
What is the InChIKey of 9-chloro-2,7-dimethyl-6H-imidazo[4,5-f]quinoline?
The InChIKey is AZEIRIDDKZWJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c1-6-5-8(13)11-9(14-6)3-4-10-12(11)16-7(2)15-10/h3-5,14H,1-2H3.
What are the key properties of 9-chloro-2,7-dimethyl-6H-imidazo[4,5-f]quinoline?
9-chloro-2,7-dimethyl-6H-imidazo[4,5-f]quinoline has a molecular weight of 231.69 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2,7-dimethyl-6H-imidazo[4,5-f]quinoline is sourced from PubChem (CID 135712931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).