6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one

C12H15N3O — CID 168515878

IUPAC6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2cc(N3CCCC3)ccc2N1
InChIInChI=1S/C12H15N3O/c16-12-13-8-9-7-10(3-4-11(9)14-12)15-5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H2,13,14,16)
InChIKeyZQBYNHDHHBHKBX-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.92
Rot. Bonds1

About 6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one

6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 168515878) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one
PubChem CID168515878
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2cc(N3CCCC3)ccc2N1
InChIInChI=1S/C12H15N3O/c16-12-13-8-9-7-10(3-4-11(9)14-12)15-5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H2,13,14,16)
InChIKeyZQBYNHDHHBHKBX-UHFFFAOYSA-N
XLogP1.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 23363883
6-[4-[[3-(cyclopenten-1-yl)phenyl]methyl]piperazin-1-yl]-3,4-dihydro-1H-quinazolin-2-one
CID 118307485
6-(azepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 39247840
6-pyrrolidin-1-yl-1H-indole-2,3-dione
CID 39871032
6-piperidin-1-yl-1,2,3,4-tetrahydroquinolin-3-ol
CID 107447221
7-pyrrolidin-1-yl-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 52983751
3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydro-1H-quinoxaline
CID 96599386
1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid
CID 117099453
3,3-dimethyl-7-pyrrolidin-1-yl-2,4-dihydroisoquinolin-1-one
CID 168514747
6-piperidin-1-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)-1,4-dihydroquinazolin-2-one
CID 21064921
7-piperazin-1-yl-2,3,4,5-tetrahydro-1H-1-benzazepine
CID 83853200
6-(4-aminopiperidin-1-yl)-3,4-dihydro-1H-quinolin-2-one
CID 14627677

Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one (CID 168515878) is 6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one is O=C1NCc2cc(N3CCCC3)ccc2N1.
What is the InChIKey of 6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is ZQBYNHDHHBHKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c16-12-13-8-9-7-10(3-4-11(9)14-12)15-5-1-2-6-15/h3-4,7H,1-2,5-6,8H2,(H2,13,14,16).
What are the key properties of 6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one?
6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 217.27 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-yl-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 168515878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).