(Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine

C17H12ClF2N3 — CID 145139384

IUPAC(Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine
SMILESN/C(=C\Nc1ccc(F)c(F)c1)c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C17H12ClF2N3/c18-11-3-1-10-2-6-16(23-17(10)7-11)15(21)9-22-12-4-5-13(19)14(20)8-12/h1-9,22H,21H2/b15-9-
InChIKeyGKZQLOXAPILWDU-DHDCSXOGSA-N
MW331.75 g/mol
LogP4.54
Rot. Bonds3

About (Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine

(Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine (PubChem CID 145139384) has the molecular formula C17H12ClF2N3 and a molecular weight of 331.75 g/mol. Its IUPAC name is (Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine
PubChem CID145139384
Molecular FormulaC17H12ClF2N3
Molecular Weight331.75 g/mol
Exact Mass331.07
IUPAC Name(Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine
SMILESN/C(=C\Nc1ccc(F)c(F)c1)c1ccc2ccc(Cl)cc2n1
InChIInChI=1S/C17H12ClF2N3/c18-11-3-1-10-2-6-16(23-17(10)7-11)15(21)9-22-12-4-5-13(19)14(20)8-12/h1-9,22H,21H2/b15-9-
InChIKeyGKZQLOXAPILWDU-DHDCSXOGSA-N
XLogP4.54
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.75
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-N'-(4-fluorophenyl)-1-quinolin-2-ylethene-1,2-diamine
CID 145139348
[2-(3,4-difluoroanilino)-2-oxoethyl] quinoline-2-carboxylate
CID 2466704
7-chloroquinazolin-2-amine
CID 10678921
(Z)-3-(3,4-difluoroanilino)prop-2-enimidamide
CID 142372312
N-(1-amino-2-methylpropan-2-yl)-7-chloroquinoline-2-carboxamide;dihydrochloride
CID 119522739
ethyl 6-chloro-4-(3,4-difluoroanilino)quinoline-2-carboxylate
CID 22425307
7-chloro-N-cyclopentylquinoline-2-carboxamide
CID 110490278
2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid
CID 110490256
4-chloro-2-(3,4-difluoroanilino)benzenecarbothioamide
CID 63081330
7-chloro-N,N-diethylquinoline-2-carboxamide
CID 110490272
3-(3,4-difluoroanilino)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 3759662
N-(3,4-difluorophenyl)quinolin-2-amine
CID 82536877

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine?
The IUPAC name of (Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine (CID 145139384) is (Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine.
What is the SMILES notation for (Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine?
The canonical SMILES for (Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine is N/C(=C\Nc1ccc(F)c(F)c1)c1ccc2ccc(Cl)cc2n1.
What is the InChIKey of (Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine?
The InChIKey is GKZQLOXAPILWDU-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H12ClF2N3/c18-11-3-1-10-2-6-16(23-17(10)7-11)15(21)9-22-12-4-5-13(19)14(20)8-12/h1-9,22H,21H2/b15-9-.
What are the key properties of (Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine?
(Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine has a molecular weight of 331.75 g/mol, XLogP of 4.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(7-chloroquinolin-2-yl)-N'-(3,4-difluorophenyl)ethene-1,2-diamine is sourced from PubChem (CID 145139384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).