4-pyrrolidin-3-yl-3H-quinazolin-2-one

C12H13N3O — CID 105468545

IUPAC4-pyrrolidin-3-yl-3H-quinazolin-2-one
SMILESO=c1nc2ccccc2c(C2CCNC2)[nH]1
InChIInChI=1S/C12H13N3O/c16-12-14-10-4-2-1-3-9(10)11(15-12)8-5-6-13-7-8/h1-4,8,13H,5-7H2,(H,14,15,16)
InChIKeyUVENOCJKDGXWQK-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.00
Rot. Bonds1

About 4-pyrrolidin-3-yl-3H-quinazolin-2-one

4-pyrrolidin-3-yl-3H-quinazolin-2-one (PubChem CID 105468545) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-pyrrolidin-3-yl-3H-quinazolin-2-one.

Molecular Properties

Compound Name4-pyrrolidin-3-yl-3H-quinazolin-2-one
PubChem CID105468545
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-pyrrolidin-3-yl-3H-quinazolin-2-one
SMILESO=c1nc2ccccc2c(C2CCNC2)[nH]1
InChIInChI=1S/C12H13N3O/c16-12-14-10-4-2-1-3-9(10)11(15-12)8-5-6-13-7-8/h1-4,8,13H,5-7H2,(H,14,15,16)
InChIKeyUVENOCJKDGXWQK-UHFFFAOYSA-N
XLogP1.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2-[(3S)-pyrrolidin-3-yl]benzamide
CID 136706433
2-piperidin-4-ylquinoline-4-carboxylic acid
CID 84635932
ethane;3-phenylpyrrolidine
CID 91032726
2-chloro-3-piperidin-4-ylquinazolin-4-one
CID 117263485
2-chloro-3-pyrrolidin-3-ylquinoline
CID 116985200
2-pyrrolidin-3-ylquinolin-3-amine
CID 144553438
2-(2-pyrrolidin-3-ylethoxymethyl)-3H-quinazolin-4-one
CID 136767078
6-phenyl-2-pyrrolidin-3-yl-1H-benzimidazole
CID 130454688
2-[(2S)-morpholin-2-yl]-3H-quinazolin-4-one
CID 178029081
9-piperidin-3-yl-1,2,3,4-tetrahydroacridine
CID 165348457
2-[(3S,5R)-5-hydroxypiperidin-3-yl]-3H-quinazolin-4-one
CID 137230518
2-pyrrolidin-3-yl-6-(trifluoromethyl)-3H-quinazolin-4-one
CID 136705332

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-3-yl-3H-quinazolin-2-one?
The IUPAC name of 4-pyrrolidin-3-yl-3H-quinazolin-2-one (CID 105468545) is 4-pyrrolidin-3-yl-3H-quinazolin-2-one.
What is the SMILES notation for 4-pyrrolidin-3-yl-3H-quinazolin-2-one?
The canonical SMILES for 4-pyrrolidin-3-yl-3H-quinazolin-2-one is O=c1nc2ccccc2c(C2CCNC2)[nH]1.
What is the InChIKey of 4-pyrrolidin-3-yl-3H-quinazolin-2-one?
The InChIKey is UVENOCJKDGXWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12-14-10-4-2-1-3-9(10)11(15-12)8-5-6-13-7-8/h1-4,8,13H,5-7H2,(H,14,15,16).
What are the key properties of 4-pyrrolidin-3-yl-3H-quinazolin-2-one?
4-pyrrolidin-3-yl-3H-quinazolin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-3-yl-3H-quinazolin-2-one is sourced from PubChem (CID 105468545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).