4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine

C16H14ClN3 — CID 107633881

IUPAC4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine
SMILESCc1ccc(Cl)c(Nc2ccnc3c(N)cccc23)c1
InChIInChI=1S/C16H14ClN3/c1-10-5-6-12(17)15(9-10)20-14-7-8-19-16-11(14)3-2-4-13(16)18/h2-9H,18H2,1H3,(H,19,20)
InChIKeyBJCYOUFCFDQERK-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.52
Rot. Bonds2

About 4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine

4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine (PubChem CID 107633881) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine
PubChem CID107633881
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine
SMILESCc1ccc(Cl)c(Nc2ccnc3c(N)cccc23)c1
InChIInChI=1S/C16H14ClN3/c1-10-5-6-12(17)15(9-10)20-14-7-8-19-16-11(14)3-2-4-13(16)18/h2-9H,18H2,1H3,(H,19,20)
InChIKeyBJCYOUFCFDQERK-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

4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine
CID 83060646
4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine
CID 83065865
4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine
CID 83060283
4-N-(2-chloro-5-methylphenyl)quinoline-3,4-diamine
CID 107634067
5-N-(4-methylphenyl)quinoline-5,8-diamine
CID 43449531
4-N-(4-bromophenyl)quinoline-4,8-diamine
CID 83061245
4-N-(2-ethylphenyl)quinoline-4,8-diamine
CID 83060869
4-N-(4-fluoro-3-methylphenyl)quinoline-4,8-diamine
CID 83060895
3-N-(2-chloro-5-methylphenyl)-2-nitrobenzene-1,3-diamine
CID 107638854
8-N-(2,5-dimethylphenyl)quinoline-5,8-diamine
CID 43450182
N-(2,4-dimethylphenyl)-8-fluoroquinolin-4-amine
CID 43832975
4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine
CID 61340093

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine?
The IUPAC name of 4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine (CID 107633881) is 4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine.
What is the SMILES notation for 4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine?
The canonical SMILES for 4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine is Cc1ccc(Cl)c(Nc2ccnc3c(N)cccc23)c1.
What is the InChIKey of 4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine?
The InChIKey is BJCYOUFCFDQERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-10-5-6-12(17)15(9-10)20-14-7-8-19-16-11(14)3-2-4-13(16)18/h2-9H,18H2,1H3,(H,19,20).
What are the key properties of 4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine?
4-N-(2-chloro-5-methylphenyl)quinoline-4,8-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 4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine is sourced from PubChem (CID 107633881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).