2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one

C17H16N4O — CID 70644787

IUPAC2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one
SMILESCn1c(C2CCN2)nc2cc(-c3ccccn3)ccc2c1=O
InChIInChI=1S/C17H16N4O/c1-21-16(14-7-9-19-14)20-15-10-11(5-6-12(15)17(21)22)13-4-2-3-8-18-13/h2-6,8,10,14,19H,7,9H2,1H3
InChIKeyRJGMRRPEPCLGIN-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.03
Rot. Bonds2

About 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one

2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one (PubChem CID 70644787) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one.

Molecular Properties

Compound Name2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one
PubChem CID70644787
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one
SMILESCn1c(C2CCN2)nc2cc(-c3ccccn3)ccc2c1=O
InChIInChI=1S/C17H16N4O/c1-21-16(14-7-9-19-14)20-15-10-11(5-6-12(15)17(21)22)13-4-2-3-8-18-13/h2-6,8,10,14,19H,7,9H2,1H3
InChIKeyRJGMRRPEPCLGIN-UHFFFAOYSA-N
XLogP2.03
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-pyridin-2-yl-1,9,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3(8),4,6,9-tetraen-2-one
CID 71112031
14-pyridin-2-yl-5-oxa-1,11-diazatetracyclo[8.8.0.03,7.012,17]octadeca-10,12(17),13,15-tetraen-18-one
CID 71112073
8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112053
7-pyridin-2-yl-3H-quinazolin-4-one
CID 135682059
3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one
CID 175840653
2-[(2R)-azetidin-2-yl]pyridine;hydrochloride
CID 171197160
8,8-dimethyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112145
12-methyl-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one
CID 71112238
4-methyl-7-(1H-pyrazol-5-yl)-2-pyridin-2-ylquinoline
CID 142776728
7-(8-azabicyclo[3.2.1]oct-2-en-3-yl)-3-(2-methylindazol-5-yl)quinazolin-4-one
CID 156888988
1-(1-methylpiperidin-4-yl)-2-(7-pyridin-2-ylquinazolin-2-yl)ethanone
CID 157306288
ethane;5-pyridin-2-yl-1H-pyridin-2-one
CID 144524289

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one?
The IUPAC name of 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one (CID 70644787) is 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one.
What is the SMILES notation for 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one?
The canonical SMILES for 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one is Cn1c(C2CCN2)nc2cc(-c3ccccn3)ccc2c1=O.
What is the InChIKey of 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one?
The InChIKey is RJGMRRPEPCLGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-21-16(14-7-9-19-14)20-15-10-11(5-6-12(15)17(21)22)13-4-2-3-8-18-13/h2-6,8,10,14,19H,7,9H2,1H3.
What are the key properties of 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one?
2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one has a molecular weight of 292.34 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-2-yl)-3-methyl-7-pyridin-2-ylquinazolin-4-one is sourced from PubChem (CID 70644787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).