N-benzyl-7-chloroquinolin-4-amine

C16H13ClN2 — CID 4798096

IUPACN-benzyl-7-chloroquinolin-4-amine
SMILESClc1ccc2c(NCc3ccccc3)ccnc2c1
InChIInChI=1S/C16H13ClN2/c17-13-6-7-14-15(8-9-18-16(14)10-13)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)
InChIKeyIMBPMAAMRHSTEU-UHFFFAOYSA-N
MW268.75 g/mol
LogP4.50
Rot. Bonds3

About N-benzyl-7-chloroquinolin-4-amine

N-benzyl-7-chloroquinolin-4-amine (PubChem CID 4798096) has the molecular formula C16H13ClN2 and a molecular weight of 268.75 g/mol. Its IUPAC name is N-benzyl-7-chloroquinolin-4-amine.

Molecular Properties

Compound NameN-benzyl-7-chloroquinolin-4-amine
PubChem CID4798096
Molecular FormulaC16H13ClN2
Molecular Weight268.75 g/mol
Exact Mass268.08
IUPAC NameN-benzyl-7-chloroquinolin-4-amine
SMILESClc1ccc2c(NCc3ccccc3)ccnc2c1
InChIInChI=1S/C16H13ClN2/c17-13-6-7-14-15(8-9-18-16(14)10-13)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19)
InChIKeyIMBPMAAMRHSTEU-UHFFFAOYSA-N
XLogP4.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.75
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-7-chloroquinolin-4-amine?
The IUPAC name of N-benzyl-7-chloroquinolin-4-amine (CID 4798096) is N-benzyl-7-chloroquinolin-4-amine.
What is the SMILES notation for N-benzyl-7-chloroquinolin-4-amine?
The canonical SMILES for N-benzyl-7-chloroquinolin-4-amine is Clc1ccc2c(NCc3ccccc3)ccnc2c1.
What is the InChIKey of N-benzyl-7-chloroquinolin-4-amine?
The InChIKey is IMBPMAAMRHSTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2/c17-13-6-7-14-15(8-9-18-16(14)10-13)19-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,18,19).
What are the key properties of N-benzyl-7-chloroquinolin-4-amine?
N-benzyl-7-chloroquinolin-4-amine has a molecular weight of 268.75 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-7-chloroquinolin-4-amine is sourced from PubChem (CID 4798096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).