3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine

C16H14ClN3 — CID 116783012

IUPAC3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(Nc2ccc(Cl)c3cccnc23)c1
InChIInChI=1S/C16H14ClN3/c1-10-7-11(18)9-12(8-10)20-15-5-4-14(17)13-3-2-6-19-16(13)15/h2-9,20H,18H2,1H3
InChIKeyGSSCUOPMDZTMOH-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.52
Rot. Bonds2

About 3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine

3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine (PubChem CID 116783012) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine
PubChem CID116783012
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine
SMILESCc1cc(N)cc(Nc2ccc(Cl)c3cccnc23)c1
InChIInChI=1S/C16H14ClN3/c1-10-7-11(18)9-12(8-10)20-15-5-4-14(17)13-3-2-6-19-16(13)15/h2-9,20H,18H2,1H3
InChIKeyGSSCUOPMDZTMOH-UHFFFAOYSA-N
XLogP4.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.52
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
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
3-N-(2-chloro-4-fluorophenyl)-5-methylbenzene-1,3-diamine
CID 112647082
6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine
CID 116783040
2-N-(5-chloroquinolin-8-yl)-1,3-thiazole-2,5-diamine
CID 102769112
2-[(5-chloroquinolin-8-yl)amino]-6-methylpyridine-4-carbonitrile
CID 114766696
4-[(5-chloroquinolin-8-yl)amino]-2-fluorobenzonitrile
CID 116784522
4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine
CID 116785833
5-[(5-chloroquinolin-8-yl)amino]pyridine-2-carbonitrile
CID 116784530

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine?
The IUPAC name of 3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine (CID 116783012) is 3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine?
The canonical SMILES for 3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine is Cc1cc(N)cc(Nc2ccc(Cl)c3cccnc23)c1.
What is the InChIKey of 3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine?
The InChIKey is GSSCUOPMDZTMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-10-7-11(18)9-12(8-10)20-15-5-4-14(17)13-3-2-6-19-16(13)15/h2-9,20H,18H2,1H3.
What are the key properties of 3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine?
3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine has a molecular weight of 283.76 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-chloroquinolin-8-yl)-5-methylbenzene-1,3-diamine is sourced from PubChem (CID 116783012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).