1,3-dimethyl-6-oxopyrido[1,2-a]quinazoline-4-carbonitrile

C15H11N3O — CID 2310771

IUPAC1,3-dimethyl-6-oxopyrido[1,2-a]quinazoline-4-carbonitrile
SMILESCc1cc(C)n2c(nc(=O)c3ccccc32)c1C#N
InChIInChI=1S/C15H11N3O/c1-9-7-10(2)18-13-6-4-3-5-11(13)15(19)17-14(18)12(9)8-16/h3-7H,1-2H3
InChIKeyBTOXYPVLEVCQLW-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.34
Rot. Bonds

About 1,3-dimethyl-6-oxopyrido[1,2-a]quinazoline-4-carbonitrile

1,3-dimethyl-6-oxopyrido[1,2-a]quinazoline-4-carbonitrile (PubChem CID 2310771) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 1,3-dimethyl-6-oxopyrido[1,2-a]quinazoline-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-6-oxopyrido[1,2-a]quinazoline-4-carbonitrile
PubChem CID2310771
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name1,3-dimethyl-6-oxopyrido[1,2-a]quinazoline-4-carbonitrile
SMILESCc1cc(C)n2c(nc(=O)c3ccccc32)c1C#N
InChIInChI=1S/C15H11N3O/c1-9-7-10(2)18-13-6-4-3-5-11(13)15(19)17-14(18)12(9)8-16/h3-7H,1-2H3
InChIKeyBTOXYPVLEVCQLW-UHFFFAOYSA-N
XLogP2.34
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6-oxopyrido[1,2-a]quinazoline-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-6-oxopyrido[1,2-a]quinazoline-4-carbonitrile (CID 2310771) is 1,3-dimethyl-6-oxopyrido[1,2-a]quinazoline-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-6-oxopyrido[1,2-a]quinazoline-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-6-oxopyrido[1,2-a]quinazoline-4-carbonitrile is Cc1cc(C)n2c(nc(=O)c3ccccc32)c1C#N.
What is the InChIKey of 1,3-dimethyl-6-oxopyrido[1,2-a]quinazoline-4-carbonitrile?
The InChIKey is BTOXYPVLEVCQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-9-7-10(2)18-13-6-4-3-5-11(13)15(19)17-14(18)12(9)8-16/h3-7H,1-2H3.
What are the key properties of 1,3-dimethyl-6-oxopyrido[1,2-a]quinazoline-4-carbonitrile?
1,3-dimethyl-6-oxopyrido[1,2-a]quinazoline-4-carbonitrile has a molecular weight of 249.27 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6-oxopyrido[1,2-a]quinazoline-4-carbonitrile is sourced from PubChem (CID 2310771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).