N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine

C17H14FN3 — CID 44537203

IUPACN-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine
SMILESCc1cc(NN=Cc2ccccc2)c2cc(F)ccc2n1
InChIInChI=1S/C17H14FN3/c1-12-9-17(15-10-14(18)7-8-16(15)20-12)21-19-11-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)
InChIKeyNUHUWZRYMLYJHP-UHFFFAOYSA-N
MW279.32 g/mol
LogP4.13
Rot. Bonds3

About N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine

N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine (PubChem CID 44537203) has the molecular formula C17H14FN3 and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine
PubChem CID44537203
Molecular FormulaC17H14FN3
Molecular Weight279.32 g/mol
Exact Mass279.12
IUPAC NameN-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine
SMILESCc1cc(NN=Cc2ccccc2)c2cc(F)ccc2n1
InChIInChI=1S/C17H14FN3/c1-12-9-17(15-10-14(18)7-8-16(15)20-12)21-19-11-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)
InChIKeyNUHUWZRYMLYJHP-UHFFFAOYSA-N
XLogP4.13
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 54.13
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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Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine?
The IUPAC name of N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine (CID 44537203) is N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine.
What is the SMILES notation for N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine?
The canonical SMILES for N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine is Cc1cc(NN=Cc2ccccc2)c2cc(F)ccc2n1.
What is the InChIKey of N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine?
The InChIKey is NUHUWZRYMLYJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3/c1-12-9-17(15-10-14(18)7-8-16(15)20-12)21-19-11-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21).
What are the key properties of N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine?
N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine has a molecular weight of 279.32 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-6-fluoro-2-methylquinolin-4-amine is sourced from PubChem (CID 44537203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).