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

C16H15N3 — CID 81428850

IUPAC3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
SMILESNc1cccc(NCc2cccc3cccnc23)c1
InChIInChI=1S/C16H15N3/c17-14-7-2-8-15(10-14)19-11-13-5-1-4-12-6-3-9-18-16(12)13/h1-10,19H,11,17H2
InChIKeyACBZYYFYYONZFV-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.43
Rot. Bonds3

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

3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine (PubChem CID 81428850) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
PubChem CID81428850
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
SMILESNc1cccc(NCc2cccc3cccnc23)c1
InChIInChI=1S/C16H15N3/c17-14-7-2-8-15(10-14)19-11-13-5-1-4-12-6-3-9-18-16(12)13/h1-10,19H,11,17H2
InChIKeyACBZYYFYYONZFV-UHFFFAOYSA-N
XLogP3.43
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.43
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

5-methyl-3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine
CID 115980853
N-(quinolin-8-ylmethyl)aniline
CID 28610045
3-(quinolin-8-ylmethylamino)benzonitrile
CID 28615937
4-(quinolin-8-ylmethylamino)pyridine-2-carbothioamide
CID 81426601
4-methyl-N-(quinolin-8-ylmethyl)aniline
CID 28619601
N-(quinolin-8-ylmethyl)-1H-indazol-6-amine
CID 43743373
3,5-dichloro-6-N-(quinolin-8-ylmethyl)pyridine-2,6-diamine
CID 102759247
2-chloro-4-(quinolin-8-ylmethylamino)benzonitrile
CID 43347935
4-(quinolin-8-ylmethylamino)benzoic acid
CID 43321603
3-chloro-1-N-(quinolin-8-ylmethyl)benzene-1,2-diamine
CID 104834766
2-methyl-N-(quinolin-8-ylmethyl)propan-2-amine
CID 28608485
2-fluoro-4-(quinolin-8-ylmethylamino)benzoic acid
CID 147944302

Frequently Asked Questions

What is the IUPAC name of 3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine (CID 81428850) is 3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine is Nc1cccc(NCc2cccc3cccnc23)c1.
What is the InChIKey of 3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine?
The InChIKey is ACBZYYFYYONZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c17-14-7-2-8-15(10-14)19-11-13-5-1-4-12-6-3-9-18-16(12)13/h1-10,19H,11,17H2.
What are the key properties of 3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine?
3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine has a molecular weight of 249.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(quinolin-8-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 81428850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).