3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one

C12H13N3O — CID 124510058

IUPAC3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1[C@H]1CCNC1
InChIInChI=1S/C12H13N3O/c16-12-10-3-1-2-4-11(10)14-8-15(12)9-5-6-13-7-9/h1-4,8-9,13H,5-7H2/t9-/m0/s1
InChIKeySIHMWFJQEASQKQ-VIFPVBQESA-N
MW215.26 g/mol
LogP0.93
Rot. Bonds1

About 3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one

3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one (PubChem CID 124510058) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
PubChem CID124510058
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one
SMILESO=c1c2ccccc2ncn1[C@H]1CCNC1
InChIInChI=1S/C12H13N3O/c16-12-10-3-1-2-4-11(10)14-8-15(12)9-5-6-13-7-9/h1-4,8-9,13H,5-7H2/t9-/m0/s1
InChIKeySIHMWFJQEASQKQ-VIFPVBQESA-N
XLogP0.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclobutylquinazolin-4-one
CID 171781936
3-pyrrolidin-3-yl-5-(trifluoromethyl)quinazolin-4-one
CID 117263512
3-pyrrolidin-2-ylquinazolin-4-one
CID 117263616
3-(azepan-3-yl)-6-fluoroquinazolin-4-one
CID 117263920
6-phenyl-3-[(3S)-pyrrolidin-3-yl]thieno[2,3-d]pyrimidin-4-one;hydrochloride
CID 154909653
3-piperidin-4-ylpyrido[2,3-d]pyrimidin-4-one;hydrochloride
CID 154878953
8-bromo-3-piperidin-3-ylquinazolin-4-one
CID 117264605
3-(azetidin-3-yl)-6-methylquinazolin-4-one
CID 117263880
3-[1-(7-azaspiro[3.5]nonane-2-carbonyl)pyrrolidin-3-yl]quinazolin-4-one
CID 167990048
3-(1-benzylsulfonylpiperidin-4-yl)quinazolin-4-one
CID 53010931
4-(4-oxoquinazolin-3-yl)-N-phenylpiperidine-1-carboxamide
CID 46344313
3-[1-(2-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-one
CID 53113784

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one?
The IUPAC name of 3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one (CID 124510058) is 3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one.
What is the SMILES notation for 3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one?
The canonical SMILES for 3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one is O=c1c2ccccc2ncn1[C@H]1CCNC1.
What is the InChIKey of 3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one?
The InChIKey is SIHMWFJQEASQKQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H13N3O/c16-12-10-3-1-2-4-11(10)14-8-15(12)9-5-6-13-7-9/h1-4,8-9,13H,5-7H2/t9-/m0/s1.
What are the key properties of 3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one?
3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one has a molecular weight of 215.26 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-pyrrolidin-3-yl]quinazolin-4-one is sourced from PubChem (CID 124510058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).