6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine

C20H15ClN4 — CID 3234184

IUPAC6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESClc1ccccc1-c1ccc2ncnc(NCc3cccnc3)c2c1
InChIInChI=1S/C20H15ClN4/c21-18-6-2-1-5-16(18)15-7-8-19-17(10-15)20(25-13-24-19)23-12-14-4-3-9-22-11-14/h1-11,13H,12H2,(H,23,24,25)
InChIKeyAFIBHUSAXJIJHX-UHFFFAOYSA-N
MW346.82 g/mol
LogP4.96
Rot. Bonds4

About 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine

6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine (PubChem CID 3234184) has the molecular formula C20H15ClN4 and a molecular weight of 346.82 g/mol. Its IUPAC name is 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
PubChem CID3234184
Molecular FormulaC20H15ClN4
Molecular Weight346.82 g/mol
Exact Mass346.10
IUPAC Name6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESClc1ccccc1-c1ccc2ncnc(NCc3cccnc3)c2c1
InChIInChI=1S/C20H15ClN4/c21-18-6-2-1-5-16(18)15-7-8-19-17(10-15)20(25-13-24-19)23-12-14-4-3-9-22-11-14/h1-11,13H,12H2,(H,23,24,25)
InChIKeyAFIBHUSAXJIJHX-UHFFFAOYSA-N
XLogP4.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine (CID 3234184) is 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine is Clc1ccccc1-c1ccc2ncnc(NCc3cccnc3)c2c1.
What is the InChIKey of 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The InChIKey is AFIBHUSAXJIJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4/c21-18-6-2-1-5-16(18)15-7-8-19-17(10-15)20(25-13-24-19)23-12-14-4-3-9-22-11-14/h1-11,13H,12H2,(H,23,24,25).
What are the key properties of 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine has a molecular weight of 346.82 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 3234184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).