6-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine

C19H13ClN4 — CID 72703927

IUPAC6-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine
SMILESClc1cccc(-c2ccc3ncnc(Nc4ccncc4)c3c2)c1
InChIInChI=1S/C19H13ClN4/c20-15-3-1-2-13(10-15)14-4-5-18-17(11-14)19(23-12-22-18)24-16-6-8-21-9-7-16/h1-12H,(H,21,22,23,24)
InChIKeyCXQUIXLYPLLCRC-UHFFFAOYSA-N
MW332.79 g/mol
LogP5.09
Rot. Bonds3

About 6-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine

6-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine (PubChem CID 72703927) has the molecular formula C19H13ClN4 and a molecular weight of 332.79 g/mol. Its IUPAC name is 6-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine
PubChem CID72703927
Molecular FormulaC19H13ClN4
Molecular Weight332.79 g/mol
Exact Mass332.08
IUPAC Name6-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine
SMILESClc1cccc(-c2ccc3ncnc(Nc4ccncc4)c3c2)c1
InChIInChI=1S/C19H13ClN4/c20-15-3-1-2-13(10-15)14-4-5-18-17(11-14)19(23-12-22-18)24-16-6-8-21-9-7-16/h1-12H,(H,21,22,23,24)
InChIKeyCXQUIXLYPLLCRC-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 6-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of 6-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine (CID 72703927) is 6-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for 6-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for 6-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine is Clc1cccc(-c2ccc3ncnc(Nc4ccncc4)c3c2)c1.
What is the InChIKey of 6-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine?
The InChIKey is CXQUIXLYPLLCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4/c20-15-3-1-2-13(10-15)14-4-5-18-17(11-14)19(23-12-22-18)24-16-6-8-21-9-7-16/h1-12H,(H,21,22,23,24).
What are the key properties of 6-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine?
6-(3-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 6-(3-chlorophenyl)-N-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 72703927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).