6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine

C14H10Cl2N4 — CID 116783040

IUPAC6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H10Cl2N4/c15-9-3-5-11(13-8(9)2-1-7-18-13)19-14-10(17)4-6-12(16)20-14/h1-7H,17H2,(H,19,20)
InChIKeyQBZMYHYKUJSRJC-UHFFFAOYSA-N
MW305.17 g/mol
LogP4.26
Rot. Bonds2

About 6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine

6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine (PubChem CID 116783040) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine
PubChem CID116783040
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C14H10Cl2N4/c15-9-3-5-11(13-8(9)2-1-7-18-13)19-14-10(17)4-6-12(16)20-14/h1-7H,17H2,(H,19,20)
InChIKeyQBZMYHYKUJSRJC-UHFFFAOYSA-N
XLogP4.26
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2,5-dichloropyrimidin-4-yl)quinolin-8-amine
CID 116785190
6-chloro-4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116785193
2-N-(5-chloroquinolin-8-yl)pyrimidine-2,4-diamine
CID 116797540
2-N-(5-chloroquinolin-8-yl)-3,4-difluorobenzene-1,2-diamine
CID 116783002
1-N-(5-chloroquinolin-8-yl)-4-fluorobenzene-1,2-diamine
CID 116782991
4-N-(5-chloroquinolin-8-yl)pyrimidine-2,4,6-triamine
CID 116785810
2-N-(5-chloroquinolin-8-yl)-4-methoxybenzene-1,2-diamine
CID 116783039
2-[(5-chloroquinolin-8-yl)amino]pyridine-3-carbonitrile
CID 116784510
5-chloro-4-N-(5-chloroquinolin-8-yl)-2-N-methylpyrimidine-2,4-diamine
CID 116785816
4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine
CID 116785833
6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine
CID 53486868
2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine
CID 102769112

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine (CID 116783040) is 6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine is Nc1ccc(Cl)nc1Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine?
The InChIKey is QBZMYHYKUJSRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c15-9-3-5-11(13-8(9)2-1-7-18-13)19-14-10(17)4-6-12(16)20-14/h1-7H,17H2,(H,19,20).
What are the key properties of 6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine?
6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine has a molecular weight of 305.17 g/mol, XLogP of 4.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine is sourced from PubChem (CID 116783040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).