N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine

C19H13ClN4 — CID 929366

IUPACN-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESClc1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C19H13ClN4/c20-14-4-3-5-15(12-14)22-19-16-6-1-2-7-17(16)23-18(24-19)13-8-10-21-11-9-13/h1-12H,(H,22,23,24)
InChIKeyISMDJEWLVHMDGS-UHFFFAOYSA-N
MW332.79 g/mol
LogP5.09
Rot. Bonds3

About N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine

N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 929366) has the molecular formula C19H13ClN4 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID929366
Molecular FormulaC19H13ClN4
Molecular Weight332.79 g/mol
Exact Mass332.08
IUPAC NameN-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine
SMILESClc1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1
InChIInChI=1S/C19H13ClN4/c20-14-4-3-5-15(12-14)22-19-16-6-1-2-7-17(16)23-18(24-19)13-8-10-21-11-9-13/h1-12H,(H,22,23,24)
InChIKeyISMDJEWLVHMDGS-UHFFFAOYSA-N
XLogP5.09
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.79
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine (CID 929366) is N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine is Clc1cccc(Nc2nc(-c3ccncc3)nc3ccccc23)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is ISMDJEWLVHMDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4/c20-14-4-3-5-15(12-14)22-19-16-6-1-2-7-17(16)23-18(24-19)13-8-10-21-11-9-13/h1-12H,(H,22,23,24).
What are the key properties of N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine?
N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 332.79 g/mol, XLogP of 5.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 929366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).