3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine

C17H17N3O — CID 54773326

IUPAC3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine
SMILESCOc1cc(C)cc2c(Nc3cccc(N)c3)ccnc12
InChIInChI=1S/C17H17N3O/c1-11-8-14-15(20-13-5-3-4-12(18)10-13)6-7-19-17(14)16(9-11)21-2/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyUCJQUOWSFJGYIE-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.88
Rot. Bonds3

About 3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine

3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine (PubChem CID 54773326) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine
PubChem CID54773326
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine
SMILESCOc1cc(C)cc2c(Nc3cccc(N)c3)ccnc12
InChIInChI=1S/C17H17N3O/c1-11-8-14-15(20-13-5-3-4-12(18)10-13)6-7-19-17(14)16(9-11)21-2/h3-10H,18H2,1-2H3,(H,19,20)
InChIKeyUCJQUOWSFJGYIE-UHFFFAOYSA-N
XLogP3.88
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.88
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

3-(8-methoxy-6-methylquinolin-4-yl)oxyaniline
CID 54773209
8-methoxy-4,6-dimethylquinoline
CID 58053088
3-N-(5-bromo-2-methoxyphenyl)benzene-1,3-diamine
CID 54968360
4-N-(3,4-dimethylphenyl)quinoline-4,8-diamine
CID 83060283
6,8-difluoro-N-(3-methylphenyl)quinolin-4-amine
CID 50878001
6,7-dimethoxy-N-(3-methoxyphenyl)quinolin-4-amine
CID 53264717
N-(4-methoxy-3-methylphenyl)quinolin-4-amine
CID 142581718
4-(3-methoxyanilino)quinoline-6,8-diol;hydrochloride
CID 22417967
7-methoxy-N-(3-methylphenyl)quinolin-4-amine
CID 50877899
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148297
3-[(6,7-dimethoxyquinolin-4-yl)amino]phenol;hydrochloride
CID 22646651
8-methoxy-2-methyl-N-(3-methylphenyl)quinolin-4-amine
CID 110435559

Frequently Asked Questions

What is the IUPAC name of 3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine (CID 54773326) is 3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine is COc1cc(C)cc2c(Nc3cccc(N)c3)ccnc12.
What is the InChIKey of 3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine?
The InChIKey is UCJQUOWSFJGYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-8-14-15(20-13-5-3-4-12(18)10-13)6-7-19-17(14)16(9-11)21-2/h3-10H,18H2,1-2H3,(H,19,20).
What are the key properties of 3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine?
3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine has a molecular weight of 279.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(8-methoxy-6-methylquinolin-4-yl)benzene-1,3-diamine is sourced from PubChem (CID 54773326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).