4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine

C17H17N3 — CID 103000338

IUPAC4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine
SMILESCc1cccc(Nc2ccnc3cc(N)ccc23)c1C
InChIInChI=1S/C17H17N3/c1-11-4-3-5-15(12(11)2)20-16-8-9-19-17-10-13(18)6-7-14(16)17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyDHMVYJRDOQJAHY-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.18
Rot. Bonds2

About 4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine

4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine (PubChem CID 103000338) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine
PubChem CID103000338
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine
SMILESCc1cccc(Nc2ccnc3cc(N)ccc23)c1C
InChIInChI=1S/C17H17N3/c1-11-4-3-5-15(12(11)2)20-16-8-9-19-17-10-13(18)6-7-14(16)17/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyDHMVYJRDOQJAHY-UHFFFAOYSA-N
XLogP4.18
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.18
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-(2,3-dichlorophenyl)quinoline-4,7-diamine
CID 103000343
4-N-(2-ethoxyphenyl)quinoline-4,7-diamine
CID 103000246
2-N-(2,3-dimethylphenyl)-1,3-benzoxazole-2,5-diamine
CID 79885014
6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19143217
N-(3-chloro-2-methylphenyl)-7-methoxyquinolin-4-amine
CID 50877911
4-N-[2-(3-methylphenyl)ethyl]quinoline-4,7-diamine
CID 103001025
7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417
2-[(7-aminoquinolin-4-yl)amino]-5-bromobenzonitrile
CID 103001604
4-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]quinoline-4,7-diamine
CID 103001451
4-chloro-3-N-quinolin-4-ylbenzene-1,3-diamine
CID 61340093
2-chloro-1-N-quinolin-5-ylbenzene-1,4-diamine
CID 43148682
4-[(7-aminoquinolin-4-yl)amino]-N-[3-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]benzamide
CID 24857954

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine?
The IUPAC name of 4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine (CID 103000338) is 4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine.
What is the SMILES notation for 4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine?
The canonical SMILES for 4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine is Cc1cccc(Nc2ccnc3cc(N)ccc23)c1C.
What is the InChIKey of 4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine?
The InChIKey is DHMVYJRDOQJAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-4-3-5-15(12(11)2)20-16-8-9-19-17-10-13(18)6-7-14(16)17/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine?
4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine has a molecular weight of 263.34 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine is sourced from PubChem (CID 103000338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).