5-bromo-2-chloro-8-fluoro-3-propylquinoline

C12H10BrClFN — CID 63530205

IUPAC5-bromo-2-chloro-8-fluoro-3-propylquinoline
SMILESCCCc1cc2c(Br)ccc(F)c2nc1Cl
InChIInChI=1S/C12H10BrClFN/c1-2-3-7-6-8-9(13)4-5-10(15)11(8)16-12(7)14/h4-6H,2-3H2,1H3
InChIKeyIPZNNRAOHOIXSW-UHFFFAOYSA-N
MW302.57 g/mol
LogP4.74
Rot. Bonds2

About 5-bromo-2-chloro-8-fluoro-3-propylquinoline

5-bromo-2-chloro-8-fluoro-3-propylquinoline (PubChem CID 63530205) has the molecular formula C12H10BrClFN and a molecular weight of 302.57 g/mol. Its IUPAC name is 5-bromo-2-chloro-8-fluoro-3-propylquinoline.

Molecular Properties

Compound Name5-bromo-2-chloro-8-fluoro-3-propylquinoline
PubChem CID63530205
Molecular FormulaC12H10BrClFN
Molecular Weight302.57 g/mol
Exact Mass300.97
IUPAC Name5-bromo-2-chloro-8-fluoro-3-propylquinoline
SMILESCCCc1cc2c(Br)ccc(F)c2nc1Cl
InChIInChI=1S/C12H10BrClFN/c1-2-3-7-6-8-9(13)4-5-10(15)11(8)16-12(7)14/h4-6H,2-3H2,1H3
InChIKeyIPZNNRAOHOIXSW-UHFFFAOYSA-N
XLogP4.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.57
LogP ≤ 54.74
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-8-fluoro-3-propylquinolin-2-yl)hydrazine
CID 63233439
5-bromo-8-fluoro-N,3-dipropylquinolin-2-amine
CID 63524550
2-chloro-7-fluoro-8-methyl-3-propylquinoline
CID 63530367
5-bromo-2-chloro-3-(chloromethyl)-8-methylquinoline
CID 63231622
2-chloro-5,7-difluoro-3-propylquinoline
CID 63231572
8-bromo-4,6-dichloro-2-propylquinazoline
CID 106583968
8-bromo-2-chloro-3-ethyl-6-fluoroquinoline
CID 63231922
2,8-dichloro-3-propylquinoline
CID 63531217
4-bromo-6-chloro-8-fluoro-2-propylquinazoline
CID 106584157
5-bromo-8-methoxy-3-propylquinolin-2-amine
CID 63232444
8-bromo-4-chloro-6-methyl-2-propylquinazoline
CID 106584204
5-bromo-2-chloro-3-(chloromethyl)-6-fluoro-8-methylquinoline
CID 107594160

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-8-fluoro-3-propylquinoline?
The IUPAC name of 5-bromo-2-chloro-8-fluoro-3-propylquinoline (CID 63530205) is 5-bromo-2-chloro-8-fluoro-3-propylquinoline.
What is the SMILES notation for 5-bromo-2-chloro-8-fluoro-3-propylquinoline?
The canonical SMILES for 5-bromo-2-chloro-8-fluoro-3-propylquinoline is CCCc1cc2c(Br)ccc(F)c2nc1Cl.
What is the InChIKey of 5-bromo-2-chloro-8-fluoro-3-propylquinoline?
The InChIKey is IPZNNRAOHOIXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN/c1-2-3-7-6-8-9(13)4-5-10(15)11(8)16-12(7)14/h4-6H,2-3H2,1H3.
What are the key properties of 5-bromo-2-chloro-8-fluoro-3-propylquinoline?
5-bromo-2-chloro-8-fluoro-3-propylquinoline has a molecular weight of 302.57 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-8-fluoro-3-propylquinoline is sourced from PubChem (CID 63530205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).