6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline

C12H10BrClFN — CID 103996977

IUPAC6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline
SMILESCC(C)c1cc2cc(Br)c(F)cc2nc1Cl
InChIInChI=1S/C12H10BrClFN/c1-6(2)8-3-7-4-9(13)10(15)5-11(7)16-12(8)14/h3-6H,1-2H3
InChIKeyFSPTVEYVEMTCLT-UHFFFAOYSA-N
MW302.57 g/mol
LogP4.91
Rot. Bonds1

About 6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline

6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline (PubChem CID 103996977) has the molecular formula C12H10BrClFN and a molecular weight of 302.57 g/mol. Its IUPAC name is 6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline.

Molecular Properties

Compound Name6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline
PubChem CID103996977
Molecular FormulaC12H10BrClFN
Molecular Weight302.57 g/mol
Exact Mass300.97
IUPAC Name6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline
SMILESCC(C)c1cc2cc(Br)c(F)cc2nc1Cl
InChIInChI=1S/C12H10BrClFN/c1-6(2)8-3-7-4-9(13)10(15)5-11(7)16-12(8)14/h3-6H,1-2H3
InChIKeyFSPTVEYVEMTCLT-UHFFFAOYSA-N
XLogP4.91
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.57
LogP ≤ 54.91
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

6-bromo-7-fluoro-N-methyl-3-propan-2-ylquinolin-2-amine
CID 103996998
2-chloro-5,6,7-trifluoro-3-propan-2-ylquinoline
CID 63231799
2,6-dichloro-8-fluoro-3-propan-2-ylquinoline
CID 63531051
1-bromo-2,5-difluoro-4-propan-2-ylbenzene
CID 58333577
6-bromo-2,8-dichloro-3-propan-2-ylquinoline
CID 63531381
5,8-dibromo-2-chloro-3-propan-2-ylquinoline
CID 63530368
6-bromo-2-(1-chloroethyl)-5-fluoro-1-propylbenzimidazole
CID 116738618
6-bromo-7-fluoro-3-methyl-N-propylquinolin-2-amine
CID 103997014
6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine
CID 116738105
6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole
CID 116738566
2-[2-[6-bromo-2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]ethyl]-1,3-thiazole
CID 116739068
7-chloro-2-methyl-3-propan-2-ylquinoline
CID 140904277

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline?
The IUPAC name of 6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline (CID 103996977) is 6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline.
What is the SMILES notation for 6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline?
The canonical SMILES for 6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline is CC(C)c1cc2cc(Br)c(F)cc2nc1Cl.
What is the InChIKey of 6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline?
The InChIKey is FSPTVEYVEMTCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN/c1-6(2)8-3-7-4-9(13)10(15)5-11(7)16-12(8)14/h3-6H,1-2H3.
What are the key properties of 6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline?
6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline has a molecular weight of 302.57 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline is sourced from PubChem (CID 103996977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).