5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine

C17H17N3 — CID 115980853

IUPAC5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
SMILESCc1cc(N)cc(NCc2cccc3cccnc23)c1
InChIInChI=1S/C17H17N3/c1-12-8-15(18)10-16(9-12)20-11-14-5-2-4-13-6-3-7-19-17(13)14/h2-10,20H,11,18H2,1H3
InChIKeyDIZWTIHJVKHKGY-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.74
Rot. Bonds3

About 5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine

5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine (PubChem CID 115980853) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
PubChem CID115980853
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
SMILESCc1cc(N)cc(NCc2cccc3cccnc23)c1
InChIInChI=1S/C17H17N3/c1-12-8-15(18)10-16(9-12)20-11-14-5-2-4-13-6-3-7-19-17(13)14/h2-10,20H,11,18H2,1H3
InChIKeyDIZWTIHJVKHKGY-UHFFFAOYSA-N
XLogP3.74
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.74
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

3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 81428850
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
N-(quinolin-8-ylmethyl)aniline
CID 28610045
4-methyl-2-N-(quinolin-8-ylmethyl)pyridine-2,5-diamine
CID 81426632
N-(3,5-dimethylphenyl)-2-quinolin-8-ylacetamide
CID 51307005
3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine
CID 102759247
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
3,6-dimethyl-N-(quinolin-8-ylmethyl)pyrazin-2-amine
CID 81423227
3-(quinolin-8-ylmethylamino)benzonitrile
CID 28615937
6-N,5-dimethyl-4-N-(quinolin-8-ylmethyl)pyrimidine-4,6-diamine
CID 81435677
4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide
CID 81426601
5-bromo-N-(quinolin-8-ylmethyl)pyrimidin-2-amine
CID 78953418

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine (CID 115980853) is 5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine is Cc1cc(N)cc(NCc2cccc3cccnc23)c1.
What is the InChIKey of 5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine?
The InChIKey is DIZWTIHJVKHKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-8-15(18)10-16(9-12)20-11-14-5-2-4-13-6-3-7-19-17(13)14/h2-10,20H,11,18H2,1H3.
What are the key properties of 5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine?
5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine has a molecular weight of 263.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 115980853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).