2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine

C15H10ClF2N3 — CID 116783002

IUPAC2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine
SMILESNc1ccc(F)c(F)c1Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H10ClF2N3/c16-9-3-6-12(14-8(9)2-1-7-20-14)21-15-11(19)5-4-10(17)13(15)18/h1-7,21H,19H2
InChIKeyQWGKGEADGGHDHK-UHFFFAOYSA-N
MW305.72 g/mol
LogP4.49
Rot. Bonds2

About 2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine

2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine (PubChem CID 116783002) has the molecular formula C15H10ClF2N3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine
PubChem CID116783002
Molecular FormulaC15H10ClF2N3
Molecular Weight305.72 g/mol
Exact Mass305.05
IUPAC Name2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine
SMILESNc1ccc(F)c(F)c1Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C15H10ClF2N3/c16-9-3-6-12(14-8(9)2-1-7-20-14)21-15-11(19)5-4-10(17)13(15)18/h1-7,21H,19H2
InChIKeyQWGKGEADGGHDHK-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

1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine
CID 116782991
8-N-(2-chloro-4,6-difluorophenyl)quinoline-5,8-diamine
CID 83074548
6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine
CID 116783040
8-N-(3,4,5-trifluorophenyl)quinoline-5,8-diamine
CID 62809309
4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine
CID 116785810
6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116785193
2-N-(5-chloroquinolin-8-yl)-4-methoxybenzene-1,2-diamine
CID 116783039
2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116797540
2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine
CID 102769112
8-N-(2-fluoro-5-methylphenyl)quinoline-5,8-diamine
CID 43450217
4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile
CID 116784522
3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine
CID 116783012

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine?
The IUPAC name of 2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine (CID 116783002) is 2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine is Nc1ccc(F)c(F)c1Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine?
The InChIKey is QWGKGEADGGHDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2N3/c16-9-3-6-12(14-8(9)2-1-7-20-14)21-15-11(19)5-4-10(17)13(15)18/h1-7,21H,19H2.
What are the key properties of 2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine?
2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-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 2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine is sourced from PubChem (CID 116783002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).