N-(benzylideneamino)-2-methylquinolin-8-amine

C17H15N3 — CID 171329102

IUPACN-(benzylideneamino)-2-methylquinolin-8-amine
SMILESCc1ccc2cccc(NN=Cc3ccccc3)c2n1
InChIInChI=1S/C17H15N3/c1-13-10-11-15-8-5-9-16(17(15)19-13)20-18-12-14-6-3-2-4-7-14/h2-12,20H,1H3
InChIKeyJNQPAJNETCGXBL-UHFFFAOYSA-N
MW261.33 g/mol
LogP3.99
Rot. Bonds3

About N-(benzylideneamino)-2-methylquinolin-8-amine

N-(benzylideneamino)-2-methylquinolin-8-amine (PubChem CID 171329102) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-(benzylideneamino)-2-methylquinolin-8-amine.

Molecular Properties

Compound NameN-(benzylideneamino)-2-methylquinolin-8-amine
PubChem CID171329102
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC NameN-(benzylideneamino)-2-methylquinolin-8-amine
SMILESCc1ccc2cccc(NN=Cc3ccccc3)c2n1
InChIInChI=1S/C17H15N3/c1-13-10-11-15-8-5-9-16(17(15)19-13)20-18-12-14-6-3-2-4-7-14/h2-12,20H,1H3
InChIKeyJNQPAJNETCGXBL-UHFFFAOYSA-N
XLogP3.99
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-methylquinolin-8-yl)hydrazine
CID 957615
N-[(Z)-naphthalen-2-ylmethylideneamino]quinolin-8-amine
CID 7721506
2-[(2-methylquinolin-8-yl)amino]benzoic acid
CID 63538689
2-N-[(Z)-benzylideneamino]benzene-1,2-diamine
CID 6255297
N-[(E)-(3-fluorophenyl)methylideneamino]quinolin-8-amine
CID 19164942
N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine
CID 44537203
CID 66916636
CID 66916636
N-(2-methylquinolin-8-yl)methanesulfonamide
CID 46887816
2-methyl-N-[(2-methylphenyl)methyl]quinolin-8-amine
CID 62954281
3-[(2-methylquinolin-8-yl)amino]-3-oxopropanoic acid
CID 62953963
2-[(2-methylquinolin-8-yl)amino]propanoic acid
CID 66173350
2-methyl-8-(sulfamoylamino)quinoline
CID 112573710

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2-methylquinolin-8-amine?
The IUPAC name of N-(benzylideneamino)-2-methylquinolin-8-amine (CID 171329102) is N-(benzylideneamino)-2-methylquinolin-8-amine.
What is the SMILES notation for N-(benzylideneamino)-2-methylquinolin-8-amine?
The canonical SMILES for N-(benzylideneamino)-2-methylquinolin-8-amine is Cc1ccc2cccc(NN=Cc3ccccc3)c2n1.
What is the InChIKey of N-(benzylideneamino)-2-methylquinolin-8-amine?
The InChIKey is JNQPAJNETCGXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-13-10-11-15-8-5-9-16(17(15)19-13)20-18-12-14-6-3-2-4-7-14/h2-12,20H,1H3.
What are the key properties of N-(benzylideneamino)-2-methylquinolin-8-amine?
N-(benzylideneamino)-2-methylquinolin-8-amine has a molecular weight of 261.33 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2-methylquinolin-8-amine is sourced from PubChem (CID 171329102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).