N-(benzylideneamino)-7-chloroquinolin-4-amine

C16H12ClN3 — CID 5151823

IUPACN-(benzylideneamino)-7-chloroquinolin-4-amine
SMILESClc1ccc2c(NN=Cc3ccccc3)ccnc2c1
InChIInChI=1S/C16H12ClN3/c17-13-6-7-14-15(8-9-18-16(14)10-13)20-19-11-12-4-2-1-3-5-12/h1-11H,(H,18,20)
InChIKeyNWLRNZBSRSGYDK-UHFFFAOYSA-N
MW281.75 g/mol
LogP4.33
Rot. Bonds3

About N-(benzylideneamino)-7-chloroquinolin-4-amine

N-(benzylideneamino)-7-chloroquinolin-4-amine (PubChem CID 5151823) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is N-(benzylideneamino)-7-chloroquinolin-4-amine.

Molecular Properties

Compound NameN-(benzylideneamino)-7-chloroquinolin-4-amine
PubChem CID5151823
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC NameN-(benzylideneamino)-7-chloroquinolin-4-amine
SMILESClc1ccc2c(NN=Cc3ccccc3)ccnc2c1
InChIInChI=1S/C16H12ClN3/c17-13-6-7-14-15(8-9-18-16(14)10-13)20-19-11-12-4-2-1-3-5-12/h1-11H,(H,18,20)
InChIKeyNWLRNZBSRSGYDK-UHFFFAOYSA-N
XLogP4.33
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 54.33
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)-7-chloroquinolin-4-amine?
The IUPAC name of N-(benzylideneamino)-7-chloroquinolin-4-amine (CID 5151823) is N-(benzylideneamino)-7-chloroquinolin-4-amine.
What is the SMILES notation for N-(benzylideneamino)-7-chloroquinolin-4-amine?
The canonical SMILES for N-(benzylideneamino)-7-chloroquinolin-4-amine is Clc1ccc2c(NN=Cc3ccccc3)ccnc2c1.
What is the InChIKey of N-(benzylideneamino)-7-chloroquinolin-4-amine?
The InChIKey is NWLRNZBSRSGYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3/c17-13-6-7-14-15(8-9-18-16(14)10-13)20-19-11-12-4-2-1-3-5-12/h1-11H,(H,18,20).
What are the key properties of N-(benzylideneamino)-7-chloroquinolin-4-amine?
N-(benzylideneamino)-7-chloroquinolin-4-amine has a molecular weight of 281.75 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-7-chloroquinolin-4-amine is sourced from PubChem (CID 5151823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).