4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid

C15H15N3O4 — CID 59842863

IUPAC4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)n(CC(=O)N3CCCC3)cnc2c1
InChIInChI=1S/C15H15N3O4/c19-13(17-5-1-2-6-17)8-18-9-16-12-7-10(15(21)22)3-4-11(12)14(18)20/h3-4,7,9H,1-2,5-6,8H2,(H,21,22)
InChIKeyJKZZOTYACWWHMS-UHFFFAOYSA-N
MW301.30 g/mol
LogP0.72
Rot. Bonds3

About 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid

4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid (PubChem CID 59842863) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid
PubChem CID59842863
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(=O)n(CC(=O)N3CCCC3)cnc2c1
InChIInChI=1S/C15H15N3O4/c19-13(17-5-1-2-6-17)8-18-9-16-12-7-10(15(21)22)3-4-11(12)14(18)20/h3-4,7,9H,1-2,5-6,8H2,(H,21,22)
InChIKeyJKZZOTYACWWHMS-UHFFFAOYSA-N
XLogP0.72
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[2-(azocan-1-yl)-2-oxoethyl]-6-nitroquinazolin-4-one
CID 51215364
(3R)-1-[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]piperidine-3-carboxamide
CID 39011474
3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one
CID 18165495
3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-4-one
CID 4974516
ethyl 1-[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxylate
CID 40743560
3-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 7874856
3-[2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 55847594
3-[4-(azepan-1-yl)-4-oxobutyl]quinazolin-4-one
CID 4911229
2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)pyridine-4-carboxylic acid
CID 82902984
1-[2-(4-oxoquinazolin-3-yl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364453
3-[2-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 134012425

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid?
The IUPAC name of 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid (CID 59842863) is 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid is O=C(O)c1ccc2c(=O)n(CC(=O)N3CCCC3)cnc2c1.
What is the InChIKey of 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid?
The InChIKey is JKZZOTYACWWHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-13(17-5-1-2-6-17)8-18-9-16-12-7-10(15(21)22)3-4-11(12)14(18)20/h3-4,7,9H,1-2,5-6,8H2,(H,21,22).
What are the key properties of 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid?
4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazoline-7-carboxylic acid is sourced from PubChem (CID 59842863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).