2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one

C13H13N3O2 — CID 136668709

IUPAC2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
SMILESO=C1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C13H13N3O2/c17-9-5-7-16(8-6-9)13-14-11-4-2-1-3-10(11)12(18)15-13/h1-4H,5-8H2,(H,14,15,18)
InChIKeyNWBXTMVFBXXNLV-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.09
Rot. Bonds1

About 2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one

2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one (PubChem CID 136668709) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
PubChem CID136668709
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one
SMILESO=C1CCN(c2nc3ccccc3c(=O)[nH]2)CC1
InChIInChI=1S/C13H13N3O2/c17-9-5-7-16(8-6-9)13-14-11-4-2-1-3-10(11)12(18)15-13/h1-4H,5-8H2,(H,14,15,18)
InChIKeyNWBXTMVFBXXNLV-UHFFFAOYSA-N
XLogP1.09
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)piperidin-1-yl]-3H-quinazolin-4-one
CID 136668716
2-[4-(2-aminoethyl)piperazin-1-yl]-3H-quinazolin-4-one
CID 136923010
2-(5-azaspiro[2.5]octan-5-yl)-3H-quinazolin-4-one
CID 137266356
2-(4-cyclohexyloxypiperidin-1-yl)-3H-quinazolin-4-one
CID 137264465
2-[4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-1-yl]-3H-quinazolin-4-one
CID 136673956
2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3H-quinazolin-4-one
CID 137264492
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one
CID 137264350
2-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3H-quinazolin-4-one
CID 137267488
6-[4-(4-oxo-3H-quinazolin-2-yl)-1,4-diazepan-1-yl]pyridine-3-carboxylic acid
CID 146134599
2-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 137261639
2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-3H-quinazolin-4-one
CID 137264219
2-(3-methylsulfanylazepan-1-yl)-3H-quinazolin-4-one
CID 137258116

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one (CID 136668709) is 2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one is O=C1CCN(c2nc3ccccc3c(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one?
The InChIKey is NWBXTMVFBXXNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-9-5-7-16(8-6-9)13-14-11-4-2-1-3-10(11)12(18)15-13/h1-4H,5-8H2,(H,14,15,18).
What are the key properties of 2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one?
2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one has a molecular weight of 243.27 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopiperidin-1-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 136668709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).