3-chloro-N-quinolin-2-ylquinolin-4-amine

C18H12ClN3 — CID 42598994

IUPAC3-chloro-N-quinolin-2-ylquinolin-4-amine
SMILESClc1cnc2ccccc2c1Nc1ccc2ccccc2n1
InChIInChI=1S/C18H12ClN3/c19-14-11-20-16-8-4-2-6-13(16)18(14)22-17-10-9-12-5-1-3-7-15(12)21-17/h1-11H,(H,20,21,22)
InChIKeyNYDZOGFWMSDAMN-UHFFFAOYSA-N
MW305.77 g/mol
LogP5.18
Rot. Bonds2

About 3-chloro-N-quinolin-2-ylquinolin-4-amine

3-chloro-N-quinolin-2-ylquinolin-4-amine (PubChem CID 42598994) has the molecular formula C18H12ClN3 and a molecular weight of 305.77 g/mol. Its IUPAC name is 3-chloro-N-quinolin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name3-chloro-N-quinolin-2-ylquinolin-4-amine
PubChem CID42598994
Molecular FormulaC18H12ClN3
Molecular Weight305.77 g/mol
Exact Mass305.07
IUPAC Name3-chloro-N-quinolin-2-ylquinolin-4-amine
SMILESClc1cnc2ccccc2c1Nc1ccc2ccccc2n1
InChIInChI=1S/C18H12ClN3/c19-14-11-20-16-8-4-2-6-13(16)18(14)22-17-10-9-12-5-1-3-7-15(12)21-17/h1-11H,(H,20,21,22)
InChIKeyNYDZOGFWMSDAMN-UHFFFAOYSA-N
XLogP5.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.77
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-quinolin-2-ylquinolin-4-amine?
The IUPAC name of 3-chloro-N-quinolin-2-ylquinolin-4-amine (CID 42598994) is 3-chloro-N-quinolin-2-ylquinolin-4-amine.
What is the SMILES notation for 3-chloro-N-quinolin-2-ylquinolin-4-amine?
The canonical SMILES for 3-chloro-N-quinolin-2-ylquinolin-4-amine is Clc1cnc2ccccc2c1Nc1ccc2ccccc2n1.
What is the InChIKey of 3-chloro-N-quinolin-2-ylquinolin-4-amine?
The InChIKey is NYDZOGFWMSDAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3/c19-14-11-20-16-8-4-2-6-13(16)18(14)22-17-10-9-12-5-1-3-7-15(12)21-17/h1-11H,(H,20,21,22).
What are the key properties of 3-chloro-N-quinolin-2-ylquinolin-4-amine?
3-chloro-N-quinolin-2-ylquinolin-4-amine has a molecular weight of 305.77 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-quinolin-2-ylquinolin-4-amine is sourced from PubChem (CID 42598994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).