2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one

C23H17N3O — CID 140696030

IUPAC2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one
SMILESCc1cccc(C)c1-c1cc2ccn3c4ccccc4c(=O)nc3c2cn1
InChIInChI=1S/C23H17N3O/c1-14-6-5-7-15(2)21(14)19-12-16-10-11-26-20-9-4-3-8-17(20)23(27)25-22(26)18(16)13-24-19/h3-13H,1-2H3
InChIKeyGJXNQFUNEJBAJR-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.68
Rot. Bonds1

About 2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one

2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one (PubChem CID 140696030) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one
PubChem CID140696030
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one
SMILESCc1cccc(C)c1-c1cc2ccn3c4ccccc4c(=O)nc3c2cn1
InChIInChI=1S/C23H17N3O/c1-14-6-5-7-15(2)21(14)19-12-16-10-11-26-20-9-4-3-8-17(20)23(27)25-22(26)18(16)13-24-19/h3-13H,1-2H3
InChIKeyGJXNQFUNEJBAJR-UHFFFAOYSA-N
XLogP4.68
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.68
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 2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one?
The IUPAC name of 2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one (CID 140696030) is 2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one?
The canonical SMILES for 2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one is Cc1cccc(C)c1-c1cc2ccn3c4ccccc4c(=O)nc3c2cn1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one?
The InChIKey is GJXNQFUNEJBAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c1-14-6-5-7-15(2)21(14)19-12-16-10-11-26-20-9-4-3-8-17(20)23(27)25-22(26)18(16)13-24-19/h3-13H,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one?
2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one has a molecular weight of 351.41 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-2,7-naphthyridino[2,1-a]quinazolin-6-one is sourced from PubChem (CID 140696030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).