2,6-dichloro-8-fluoro-3-propan-2-ylquinoline

C12H10Cl2FN — CID 63531051

IUPAC2,6-dichloro-8-fluoro-3-propan-2-ylquinoline
SMILESCC(C)c1cc2cc(Cl)cc(F)c2nc1Cl
InChIInChI=1S/C12H10Cl2FN/c1-6(2)9-4-7-3-8(13)5-10(15)11(7)16-12(9)14/h3-6H,1-2H3
InChIKeyDSXCQVUOLLBUGQ-UHFFFAOYSA-N
MW258.12 g/mol
LogP4.80
Rot. Bonds1

About 2,6-dichloro-8-fluoro-3-propan-2-ylquinoline

2,6-dichloro-8-fluoro-3-propan-2-ylquinoline (PubChem CID 63531051) has the molecular formula C12H10Cl2FN and a molecular weight of 258.12 g/mol. Its IUPAC name is 2,6-dichloro-8-fluoro-3-propan-2-ylquinoline.

Molecular Properties

Compound Name2,6-dichloro-8-fluoro-3-propan-2-ylquinoline
PubChem CID63531051
Molecular FormulaC12H10Cl2FN
Molecular Weight258.12 g/mol
Exact Mass257.02
IUPAC Name2,6-dichloro-8-fluoro-3-propan-2-ylquinoline
SMILESCC(C)c1cc2cc(Cl)cc(F)c2nc1Cl
InChIInChI=1S/C12H10Cl2FN/c1-6(2)9-4-7-3-8(13)5-10(15)11(7)16-12(9)14/h3-6H,1-2H3
InChIKeyDSXCQVUOLLBUGQ-UHFFFAOYSA-N
XLogP4.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.12
LogP ≤ 54.80
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

2-chloro-8-fluoro-5-nitro-3-propan-2-ylquinoline
CID 63231932
6-bromo-2,8-dichloro-3-propan-2-ylquinoline
CID 63531381
6-bromo-2-chloro-7-fluoro-3-propan-2-ylquinoline
CID 103996977
(1S)-1-(6-chloro-8-fluoroquinolin-3-yl)ethanamine
CID 154404062
6-chloro-8-fluoro-2-phenylquinoline
CID 51361065
2-chloro-5,6,7-trifluoro-3-propan-2-ylquinoline
CID 63231799
6-chloro-N-ethyl-8-fluoro-3-propylquinolin-2-amine
CID 55224113
2-chloro-8-ethyl-3-propan-2-ylquinoline
CID 63531228
5,8-dibromo-2-chloro-3-propan-2-ylquinoline
CID 63530368
2-tert-butyl-5-chloro-1,3-di(propan-2-yl)benzene
CID 135252077
6-chloro-2-(dimethylamino)-8-fluoroquinoline-3-carbonitrile
CID 175783910
6-chloro-N,3-diethyl-8-fluoroquinolin-2-amine
CID 63530042

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-8-fluoro-3-propan-2-ylquinoline?
The IUPAC name of 2,6-dichloro-8-fluoro-3-propan-2-ylquinoline (CID 63531051) is 2,6-dichloro-8-fluoro-3-propan-2-ylquinoline.
What is the SMILES notation for 2,6-dichloro-8-fluoro-3-propan-2-ylquinoline?
The canonical SMILES for 2,6-dichloro-8-fluoro-3-propan-2-ylquinoline is CC(C)c1cc2cc(Cl)cc(F)c2nc1Cl.
What is the InChIKey of 2,6-dichloro-8-fluoro-3-propan-2-ylquinoline?
The InChIKey is DSXCQVUOLLBUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2FN/c1-6(2)9-4-7-3-8(13)5-10(15)11(7)16-12(9)14/h3-6H,1-2H3.
What are the key properties of 2,6-dichloro-8-fluoro-3-propan-2-ylquinoline?
2,6-dichloro-8-fluoro-3-propan-2-ylquinoline has a molecular weight of 258.12 g/mol, XLogP of 4.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-8-fluoro-3-propan-2-ylquinoline is sourced from PubChem (CID 63531051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).