2-chloro-7-fluoro-8-methyl-3-propylquinoline

C13H13ClFN — CID 63530367

IUPAC2-chloro-7-fluoro-8-methyl-3-propylquinoline
SMILESCCCc1cc2ccc(F)c(C)c2nc1Cl
InChIInChI=1S/C13H13ClFN/c1-3-4-10-7-9-5-6-11(15)8(2)12(9)16-13(10)14/h5-7H,3-4H2,1-2H3
InChIKeyWSFMREKSAYCHMJ-UHFFFAOYSA-N
MW237.70 g/mol
LogP4.29
Rot. Bonds2

About 2-chloro-7-fluoro-8-methyl-3-propylquinoline

2-chloro-7-fluoro-8-methyl-3-propylquinoline (PubChem CID 63530367) has the molecular formula C13H13ClFN and a molecular weight of 237.70 g/mol. Its IUPAC name is 2-chloro-7-fluoro-8-methyl-3-propylquinoline.

Molecular Properties

Compound Name2-chloro-7-fluoro-8-methyl-3-propylquinoline
PubChem CID63530367
Molecular FormulaC13H13ClFN
Molecular Weight237.70 g/mol
Exact Mass237.07
IUPAC Name2-chloro-7-fluoro-8-methyl-3-propylquinoline
SMILESCCCc1cc2ccc(F)c(C)c2nc1Cl
InChIInChI=1S/C13H13ClFN/c1-3-4-10-7-9-5-6-11(15)8(2)12(9)16-13(10)14/h5-7H,3-4H2,1-2H3
InChIKeyWSFMREKSAYCHMJ-UHFFFAOYSA-N
XLogP4.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.70
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-8-fluoro-3-propylquinoline
CID 63530205
2,8-dichloro-3-propylquinoline
CID 63531217
3-ethyl-7-fluoro-N,8-dimethylquinolin-2-amine
CID 63232558
2-chloro-8-phenyl-3-propylquinoline
CID 63531212
(1R)-N-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 8710678
(2-chloro-7,8-dimethylquinolin-3-yl)methyl-[(1R)-1-(2,4-difluorophenyl)ethyl]azanium
CID 8711030
2-chloro-5,7-difluoro-3-propylquinoline
CID 63231572
4-chloro-6-(2-fluoro-5-methylphenyl)-5-methyl-2-propylpyrimidine
CID 80975531
6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine
CID 55224113
2-chloro-3-ethyl-8-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinoline
CID 167725819
2,6-dichloro-3-propylpyridine
CID 23131294
2-chloro-3-ethyl-8-methylquinoline
CID 18523984

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-fluoro-8-methyl-3-propylquinoline?
The IUPAC name of 2-chloro-7-fluoro-8-methyl-3-propylquinoline (CID 63530367) is 2-chloro-7-fluoro-8-methyl-3-propylquinoline.
What is the SMILES notation for 2-chloro-7-fluoro-8-methyl-3-propylquinoline?
The canonical SMILES for 2-chloro-7-fluoro-8-methyl-3-propylquinoline is CCCc1cc2ccc(F)c(C)c2nc1Cl.
What is the InChIKey of 2-chloro-7-fluoro-8-methyl-3-propylquinoline?
The InChIKey is WSFMREKSAYCHMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN/c1-3-4-10-7-9-5-6-11(15)8(2)12(9)16-13(10)14/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-chloro-7-fluoro-8-methyl-3-propylquinoline?
2-chloro-7-fluoro-8-methyl-3-propylquinoline has a molecular weight of 237.70 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-fluoro-8-methyl-3-propylquinoline is sourced from PubChem (CID 63530367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).