8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine

C15H10ClF2N3 — CID 83074548

IUPAC8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine
SMILESNc1ccc(Nc2c(F)cc(F)cc2Cl)c2ncccc12
InChIInChI=1S/C15H10ClF2N3/c16-10-6-8(17)7-11(18)15(10)21-13-4-3-12(19)9-2-1-5-20-14(9)13/h1-7,21H,19H2
InChIKeyFLTQMVWXOBISGX-UHFFFAOYSA-N
MW305.72 g/mol
LogP4.49
Rot. Bonds2

About 8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine

8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine (PubChem CID 83074548) has the molecular formula C15H10ClF2N3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine
PubChem CID83074548
Molecular FormulaC15H10ClF2N3
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine
SMILESNc1ccc(Nc2c(F)cc(F)cc2Cl)c2ncccc12
InChIInChI=1S/C15H10ClF2N3/c16-10-6-8(17)7-11(18)15(10)21-13-4-3-12(19)9-2-1-5-20-14(9)13/h1-7,21H,19H2
InChIKeyFLTQMVWXOBISGX-UHFFFAOYSA-N
XLogP4.49
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine
CID 116783002
8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine
CID 62809309
8-N-(4-bromo-2-fluorophenyl)quinoline-5,8-diamine
CID 43450170
8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine
CID 107606169
1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine
CID 116782991
8-N-(2-fluoro-5-methylphenyl)quinoline-5,8-diamine
CID 43450217
8-N-(5-chloro-2-methylphenyl)-7-fluoroquinoline-5,8-diamine
CID 83163913
8-N-(5-chloro-2-methoxyphenyl)quinoline-5,8-diamine
CID 43450176
4,5-dichloro-2-N-(2-chloro-4,6-difluorophenyl)benzene-1,2-diamine
CID 83081059
8-N-(4-bromo-2-methylphenyl)-7-fluoroquinoline-5,8-diamine
CID 83163885
8-N-(2,4-dimethylphenyl)-7-fluoroquinoline-5,8-diamine
CID 83163894
8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine
CID 43450182

Frequently Asked Questions

What is the IUPAC name of 8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine?
The IUPAC name of 8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine (CID 83074548) is 8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine.
What is the SMILES notation for 8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine?
The canonical SMILES for 8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine is Nc1ccc(Nc2c(F)cc(F)cc2Cl)c2ncccc12.
What is the InChIKey of 8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine?
The InChIKey is FLTQMVWXOBISGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3/c16-10-6-8(17)7-11(18)15(10)21-13-4-3-12(19)9-2-1-5-20-14(9)13/h1-7,21H,19H2.
What are the key properties of 8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine?
8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine has a molecular weight of 305.72 g/mol, XLogP of 4.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine is sourced from PubChem (CID 83074548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).