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

C19H13ClN4 — CID 3232645

IUPAC2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine
SMILESClc1ccccc1-c1nc(Nc2ccncc2)c2ccccc2n1
InChIInChI=1S/C19H13ClN4/c20-16-7-3-1-5-14(16)18-23-17-8-4-2-6-15(17)19(24-18)22-13-9-11-21-12-10-13/h1-12H,(H,21,22,23,24)
InChIKeyGFAMVEXIOQUVBP-UHFFFAOYSA-N
MW332.79 g/mol
LogP5.09
Rot. Bonds3

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

2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine (PubChem CID 3232645) has the molecular formula C19H13ClN4 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine
PubChem CID3232645
Molecular FormulaC19H13ClN4
Molecular Weight332.79 g/mol
Exact Mass332.08
IUPAC Name2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine
SMILESClc1ccccc1-c1nc(Nc2ccncc2)c2ccccc2n1
InChIInChI=1S/C19H13ClN4/c20-16-7-3-1-5-14(16)18-23-17-8-4-2-6-15(17)19(24-18)22-13-9-11-21-12-10-13/h1-12H,(H,21,22,23,24)
InChIKeyGFAMVEXIOQUVBP-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 2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of 2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine (CID 3232645) is 2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for 2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine is Clc1ccccc1-c1nc(Nc2ccncc2)c2ccccc2n1.
What is the InChIKey of 2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine?
The InChIKey is GFAMVEXIOQUVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4/c20-16-7-3-1-5-14(16)18-23-17-8-4-2-6-15(17)19(24-18)22-13-9-11-21-12-10-13/h1-12H,(H,21,22,23,24).
What are the key properties of 2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine?
2-(2-chlorophenyl)-N-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 2-(2-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 3232645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).