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

C20H15ClN4 — CID 729874

IUPAC2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESClc1ccccc1-c1nc(NCc2cccnc2)c2ccccc2n1
InChIInChI=1S/C20H15ClN4/c21-17-9-3-1-7-15(17)20-24-18-10-4-2-8-16(18)19(25-20)23-13-14-6-5-11-22-12-14/h1-12H,13H2,(H,23,24,25)
InChIKeyNTTPQVXXQBEUGW-UHFFFAOYSA-N
MW346.82 g/mol
LogP4.96
Rot. Bonds4

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

2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine (PubChem CID 729874) has the molecular formula C20H15ClN4 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
PubChem CID729874
Molecular FormulaC20H15ClN4
Molecular Weight346.82 g/mol
Exact Mass346.10
IUPAC Name2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine
SMILESClc1ccccc1-c1nc(NCc2cccnc2)c2ccccc2n1
InChIInChI=1S/C20H15ClN4/c21-17-9-3-1-7-15(17)20-24-18-10-4-2-8-16(18)19(25-20)23-13-14-6-5-11-22-12-14/h1-12H,13H2,(H,23,24,25)
InChIKeyNTTPQVXXQBEUGW-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 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine (CID 729874) is 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine is Clc1ccccc1-c1nc(NCc2cccnc2)c2ccccc2n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
The InChIKey is NTTPQVXXQBEUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4/c21-17-9-3-1-7-15(17)20-24-18-10-4-2-8-16(18)19(25-20)23-13-14-6-5-11-22-12-14/h1-12H,13H2,(H,23,24,25).
What are the key properties of 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine?
2-(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 2-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 729874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).