3-(4-chlorophenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one

C19H14ClN3O — CID 620910

IUPAC3-(4-chlorophenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccn2)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O/c20-13-8-10-14(11-9-13)23-18(17-7-3-4-12-21-17)22-16-6-2-1-5-15(16)19(23)24/h1-12,18,22H
InChIKeyYLOCCTNZHHPWTC-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.51
Rot. Bonds2

About 3-(4-chlorophenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one

3-(4-chlorophenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one (PubChem CID 620910) has the molecular formula C19H14ClN3O and a molecular weight of 335.79 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
PubChem CID620910
Molecular FormulaC19H14ClN3O
Molecular Weight335.79 g/mol
Exact Mass335.08
IUPAC Name3-(4-chlorophenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2NC(c2ccccn2)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClN3O/c20-13-8-10-14(11-9-13)23-18(17-7-3-4-12-21-17)22-16-6-2-1-5-15(16)19(23)24/h1-12,18,22H
InChIKeyYLOCCTNZHHPWTC-UHFFFAOYSA-N
XLogP4.51
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of 3-(4-chlorophenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one (CID 620910) is 3-(4-chlorophenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2NC(c2ccccn2)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is YLOCCTNZHHPWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3O/c20-13-8-10-14(11-9-13)23-18(17-7-3-4-12-21-17)22-16-6-2-1-5-15(16)19(23)24/h1-12,18,22H.
What are the key properties of 3-(4-chlorophenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one?
3-(4-chlorophenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 335.79 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 620910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).