1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine

C15H11ClFN3 — CID 116782991

IUPAC1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine
SMILESNc1cc(F)ccc1Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H11ClFN3/c16-11-4-6-14(15-10(11)2-1-7-19-15)20-13-5-3-9(17)8-12(13)18/h1-8,20H,18H2
InChIKeyZLMAQKWOTHWNSX-UHFFFAOYSA-N
MW287.73 g/mol
LogP4.35
Rot. Bonds2

About 1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine

1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine (PubChem CID 116782991) has the molecular formula C15H11ClFN3 and a molecular weight of 287.73 g/mol. Its IUPAC name is 1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine
PubChem CID116782991
Molecular FormulaC15H11ClFN3
Molecular Weight287.73 g/mol
Exact Mass287.06
IUPAC Name1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine
SMILESNc1cc(F)ccc1Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H11ClFN3/c16-11-4-6-14(15-10(11)2-1-7-19-15)20-13-5-3-9(17)8-12(13)18/h1-8,20H,18H2
InChIKeyZLMAQKWOTHWNSX-UHFFFAOYSA-N
XLogP4.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.73
LogP ≤ 54.35
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
2-N-(5-chloroquinolin-8-yl)-4-methoxybenzene-1,2-diamine
CID 116783039
6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine
CID 116783040
8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine
CID 83074548
5-chloro-N-[(2,5-difluorophenyl)methyl]quinolin-8-amine
CID 60927464
6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116785193
4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine
CID 116785810
2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116797540
3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine
CID 116783012
2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine
CID 102769112
8-N-(2-chloro-4-iodophenyl)quinoline-5,8-diamine
CID 107606169
5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine
CID 60928480

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine?
The IUPAC name of 1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine (CID 116782991) is 1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine.
What is the SMILES notation for 1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine?
The canonical SMILES for 1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine is Nc1cc(F)ccc1Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine?
The InChIKey is ZLMAQKWOTHWNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3/c16-11-4-6-14(15-10(11)2-1-7-19-15)20-13-5-3-9(17)8-12(13)18/h1-8,20H,18H2.
What are the key properties of 1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine?
1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine has a molecular weight of 287.73 g/mol, XLogP of 4.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine is sourced from PubChem (CID 116782991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).