3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride

C20H16ClN3O2 — CID 135154717

IUPAC3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride
SMILESCc1ccc(-n2c(-c3cccnc3)nc3ccccc3c2=O)cc1O.Cl
InChIInChI=1S/C20H15N3O2.ClH/c1-13-8-9-15(11-18(13)24)23-19(14-5-4-10-21-12-14)22-17-7-3-2-6-16(17)20(23)25;/h2-12,24H,1H3;1H
InChIKeyJBKZISAZXVDXGB-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.88
Rot. Bonds2

About 3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride

3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride (PubChem CID 135154717) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride
PubChem CID135154717
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride
SMILESCc1ccc(-n2c(-c3cccnc3)nc3ccccc3c2=O)cc1O.Cl
InChIInChI=1S/C20H15N3O2.ClH/c1-13-8-9-15(11-18(13)24)23-19(14-5-4-10-21-12-14)22-17-7-3-2-6-16(17)20(23)25;/h2-12,24H,1H3;1H
InChIKeyJBKZISAZXVDXGB-UHFFFAOYSA-N
XLogP3.88
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride?
The IUPAC name of 3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride (CID 135154717) is 3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride.
What is the SMILES notation for 3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride?
The canonical SMILES for 3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride is Cc1ccc(-n2c(-c3cccnc3)nc3ccccc3c2=O)cc1O.Cl.
What is the InChIKey of 3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride?
The InChIKey is JBKZISAZXVDXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2.ClH/c1-13-8-9-15(11-18(13)24)23-19(14-5-4-10-21-12-14)22-17-7-3-2-6-16(17)20(23)25;/h2-12,24H,1H3;1H.
What are the key properties of 3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride?
3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride has a molecular weight of 365.82 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methylphenyl)-2-pyridin-3-ylquinazolin-4-one;hydrochloride is sourced from PubChem (CID 135154717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).