4-chloro-2,7,8-trimethylquinoline

C12H12ClN — CID 16765326

IUPAC4-chloro-2,7,8-trimethylquinoline
SMILESCc1cc(Cl)c2ccc(C)c(C)c2n1
InChIInChI=1S/C12H12ClN/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-6H,1-3H3
InChIKeyNDTSUKTWPJRMAV-UHFFFAOYSA-N
MW205.69 g/mol
LogP3.81
Rot. Bonds

About 4-chloro-2,7,8-trimethylquinoline

4-chloro-2,7,8-trimethylquinoline (PubChem CID 16765326) has the molecular formula C12H12ClN and a molecular weight of 205.69 g/mol. Its IUPAC name is 4-chloro-2,7,8-trimethylquinoline.

Molecular Properties

Compound Name4-chloro-2,7,8-trimethylquinoline
PubChem CID16765326
Molecular FormulaC12H12ClN
Molecular Weight205.69 g/mol
Exact Mass205.07
IUPAC Name4-chloro-2,7,8-trimethylquinoline
SMILESCc1cc(Cl)c2ccc(C)c(C)c2n1
InChIInChI=1S/C12H12ClN/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-6H,1-3H3
InChIKeyNDTSUKTWPJRMAV-UHFFFAOYSA-N
XLogP3.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,7,8-trimethylquinoline?
The IUPAC name of 4-chloro-2,7,8-trimethylquinoline (CID 16765326) is 4-chloro-2,7,8-trimethylquinoline.
What is the SMILES notation for 4-chloro-2,7,8-trimethylquinoline?
The canonical SMILES for 4-chloro-2,7,8-trimethylquinoline is Cc1cc(Cl)c2ccc(C)c(C)c2n1.
What is the InChIKey of 4-chloro-2,7,8-trimethylquinoline?
The InChIKey is NDTSUKTWPJRMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN/c1-7-4-5-10-11(13)6-8(2)14-12(10)9(7)3/h4-6H,1-3H3.
What are the key properties of 4-chloro-2,7,8-trimethylquinoline?
4-chloro-2,7,8-trimethylquinoline has a molecular weight of 205.69 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,7,8-trimethylquinoline is sourced from PubChem (CID 16765326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).