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

C16H14ClN3O — CID 83065865

IUPAC4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine
SMILESCOc1ccc(Cl)c(Nc2ccnc3c(N)cccc23)c1
InChIInChI=1S/C16H14ClN3O/c1-21-10-5-6-12(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)
InChIKeyKJEFJRQJDYAGJC-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.22
Rot. Bonds3

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

4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine (PubChem CID 83065865) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine.

Molecular Properties

Compound Name4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine
PubChem CID83065865
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine
SMILESCOc1ccc(Cl)c(Nc2ccnc3c(N)cccc23)c1
InChIInChI=1S/C16H14ClN3O/c1-21-10-5-6-12(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)
InChIKeyKJEFJRQJDYAGJC-UHFFFAOYSA-N
XLogP4.22
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-N-(2-chloro-5-methylphenyl)quinoline-4,8-diamine
CID 107633881
2-N-(5-chloroquinolin-8-yl)-4-methoxybenzene-1,2-diamine
CID 116783039
8-chloro-N-(4-methoxyphenyl)quinolin-4-amine
CID 43833259
4-N-(2,5-dimethylphenyl)quinoline-4,8-diamine
CID 83060646
7-chloro-N-(2,4-dimethoxyphenyl)-8-methylquinolin-4-amine
CID 43860071
2-N-(2-chloro-5-methoxyphenyl)-4,5-dimethoxybenzene-1,2-diamine
CID 83004624
4-(3,4-dichlorophenoxy)quinolin-8-amine
CID 83060695
4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine
CID 83060283
4-N-(4-bromophenyl)quinoline-4,8-diamine
CID 83061245
4-N-(2-ethylphenyl)quinoline-4,8-diamine
CID 83060869
8-chloro-N-(2-methoxyphenyl)quinolin-4-amine
CID 43833261
4-N-(2-chloro-5-methoxyphenyl)pyrimidine-4,6-diamine
CID 80814894

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine?
The IUPAC name of 4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine (CID 83065865) is 4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine.
What is the SMILES notation for 4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine?
The canonical SMILES for 4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine is COc1ccc(Cl)c(Nc2ccnc3c(N)cccc23)c1.
What is the InChIKey of 4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine?
The InChIKey is KJEFJRQJDYAGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-21-10-5-6-12(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-methoxyphenyl)quinoline-4,8-diamine?
4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine has a molecular weight of 299.76 g/mol, XLogP of 4.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloro-5-methoxyphenyl)quinoline-4,8-diamine is sourced from PubChem (CID 83065865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).