2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one

C14H16ClN3O2 — CID 117264327

IUPAC2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccc(O)cc2nc(Cl)n1CC1CCCNC1
InChIInChI=1S/C14H16ClN3O2/c15-14-17-12-6-10(19)3-4-11(12)13(20)18(14)8-9-2-1-5-16-7-9/h3-4,6,9,16,19H,1-2,5,7-8H2
InChIKeyWWLKNQNUSQZCSZ-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.76
Rot. Bonds2

About 2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one

2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one (PubChem CID 117264327) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one
PubChem CID117264327
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccc(O)cc2nc(Cl)n1CC1CCCNC1
InChIInChI=1S/C14H16ClN3O2/c15-14-17-12-6-10(19)3-4-11(12)13(20)18(14)8-9-2-1-5-16-7-9/h3-4,6,9,16,19H,1-2,5,7-8H2
InChIKeyWWLKNQNUSQZCSZ-UHFFFAOYSA-N
XLogP1.76
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-7-hydroxy-3-pyrrolidin-3-ylquinazolin-4-one
CID 117264246
2-(2-chloro-7-hydroxy-4-oxoquinazolin-3-yl)acetaldehyde
CID 117264206
2,8-dichloro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one
CID 117264663
1-(piperidin-3-ylmethyl)benzimidazol-5-ol
CID 84794554
2-chloro-8-fluoro-3-(pyrrolidin-3-ylmethyl)quinazolin-4-one
CID 117264662
5-chloro-2-ethyl-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 144977687
7-methyl-3-(piperidin-3-ylmethyl)-1H-quinazoline-2,4-dione
CID 117262886
6-(4-chlorophenyl)-2-(2-methylphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 23631195
5-chloro-3-(piperidin-3-ylmethyl)quinazolin-4-one
CID 117263607
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-ol;hydrochloride
CID 119930578
2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633
2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160831

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one?
The IUPAC name of 2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one (CID 117264327) is 2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one?
The canonical SMILES for 2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one is O=c1c2ccc(O)cc2nc(Cl)n1CC1CCCNC1.
What is the InChIKey of 2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one?
The InChIKey is WWLKNQNUSQZCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c15-14-17-12-6-10(19)3-4-11(12)13(20)18(14)8-9-2-1-5-16-7-9/h3-4,6,9,16,19H,1-2,5,7-8H2.
What are the key properties of 2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one?
2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one has a molecular weight of 293.75 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-hydroxy-3-(piperidin-3-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 117264327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).