6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride

C20H21ClFN3O — CID 136947741

IUPAC6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride
SMILESCc1cc(F)cc2c(=O)[nH]c(-c3ccc(C4CCNCC4)cc3)nc12.Cl
InChIInChI=1S/C20H20FN3O.ClH/c1-12-10-16(21)11-17-18(12)23-19(24-20(17)25)15-4-2-13(3-5-15)14-6-8-22-9-7-14;/h2-5,10-11,14,22H,6-9H2,1H3,(H,23,24,25);1H
InChIKeyRYCYAEKBALFRQX-UHFFFAOYSA-N
MW373.86 g/mol
LogP3.93
Rot. Bonds2

About 6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride

6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride (PubChem CID 136947741) has the molecular formula C20H21ClFN3O and a molecular weight of 373.86 g/mol. Its IUPAC name is 6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride.

Molecular Properties

Compound Name6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride
PubChem CID136947741
Molecular FormulaC20H21ClFN3O
Molecular Weight373.86 g/mol
Exact Mass373.14
IUPAC Name6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride
SMILESCc1cc(F)cc2c(=O)[nH]c(-c3ccc(C4CCNCC4)cc3)nc12.Cl
InChIInChI=1S/C20H20FN3O.ClH/c1-12-10-16(21)11-17-18(12)23-19(24-20(17)25)15-4-2-13(3-5-15)14-6-8-22-9-7-14;/h2-5,10-11,14,22H,6-9H2,1H3,(H,23,24,25);1H
InChIKeyRYCYAEKBALFRQX-UHFFFAOYSA-N
XLogP3.93
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride?
The IUPAC name of 6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride (CID 136947741) is 6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride.
What is the SMILES notation for 6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride?
The canonical SMILES for 6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride is Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C4CCNCC4)cc3)nc12.Cl.
What is the InChIKey of 6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride?
The InChIKey is RYCYAEKBALFRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O.ClH/c1-12-10-16(21)11-17-18(12)23-19(24-20(17)25)15-4-2-13(3-5-15)14-6-8-22-9-7-14;/h2-5,10-11,14,22H,6-9H2,1H3,(H,23,24,25);1H.
What are the key properties of 6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride?
6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride has a molecular weight of 373.86 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-8-methyl-2-(4-piperidin-4-ylphenyl)-3H-quinazolin-4-one;hydrochloride is sourced from PubChem (CID 136947741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).