7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile

C15H13N3O — CID 138963009

IUPAC7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile
SMILESCC1=CC(C)=C(C#N)C2=NC3C=CC=CC3C(=O)N12
InChIInChI=1S/C15H13N3O/c1-9-7-10(2)18-14(12(9)8-16)17-13-6-4-3-5-11(13)15(18)19/h3-7,11,13H,1-2H3
InChIKeyFSKMRCCFRRBJQL-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.10
Rot. Bonds

About 7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile

7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile (PubChem CID 138963009) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile.

Molecular Properties

Compound Name7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile
PubChem CID138963009
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile
SMILESCC1=CC(C)=C(C#N)C2=NC3C=CC=CC3C(=O)N12
InChIInChI=1S/C15H13N3O/c1-9-7-10(2)18-14(12(9)8-16)17-13-6-4-3-5-11(13)15(18)19/h3-7,11,13H,1-2H3
InChIKeyFSKMRCCFRRBJQL-UHFFFAOYSA-N
XLogP2.10
TPSA56.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile?
The IUPAC name of 7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile (CID 138963009) is 7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile.
What is the SMILES notation for 7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile?
The canonical SMILES for 7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile is CC1=CC(C)=C(C#N)C2=NC3C=CC=CC3C(=O)N12.
What is the InChIKey of 7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile?
The InChIKey is FSKMRCCFRRBJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-9-7-10(2)18-14(12(9)8-16)17-13-6-4-3-5-11(13)15(18)19/h3-7,11,13H,1-2H3.
What are the key properties of 7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile?
7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile has a molecular weight of 251.29 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-11-oxo-4a,11a-dihydropyrido[2,1-b]quinazoline-6-carbonitrile is sourced from PubChem (CID 138963009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).