4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline

C13H13ClFN — CID 79049927

IUPAC4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline
SMILESCc1cc(F)cc2nc(C(C)C)cc(Cl)c12
InChIInChI=1S/C13H13ClFN/c1-7(2)11-6-10(14)13-8(3)4-9(15)5-12(13)16-11/h4-7H,1-3H3
InChIKeyROMUCBOFFHVXQD-UHFFFAOYSA-N
MW237.70 g/mol
LogP4.46
Rot. Bonds1

About 4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline

4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline (PubChem CID 79049927) has the molecular formula C13H13ClFN and a molecular weight of 237.70 g/mol. Its IUPAC name is 4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline.

Molecular Properties

Compound Name4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline
PubChem CID79049927
Molecular FormulaC13H13ClFN
Molecular Weight237.70 g/mol
Exact Mass237.07
IUPAC Name4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline
SMILESCc1cc(F)cc2nc(C(C)C)cc(Cl)c12
InChIInChI=1S/C13H13ClFN/c1-7(2)11-6-10(14)13-8(3)4-9(15)5-12(13)16-11/h4-7H,1-3H3
InChIKeyROMUCBOFFHVXQD-UHFFFAOYSA-N
XLogP4.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.70
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline 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 4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline?
The IUPAC name of 4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline (CID 79049927) is 4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline.
What is the SMILES notation for 4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline?
The canonical SMILES for 4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline is Cc1cc(F)cc2nc(C(C)C)cc(Cl)c12.
What is the InChIKey of 4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline?
The InChIKey is ROMUCBOFFHVXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN/c1-7(2)11-6-10(14)13-8(3)4-9(15)5-12(13)16-11/h4-7H,1-3H3.
What are the key properties of 4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline?
4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline has a molecular weight of 237.70 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-5-methyl-2-propan-2-ylquinoline is sourced from PubChem (CID 79049927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).