6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one

C20H17N3O — CID 135659022

IUPAC6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one
SMILESCN(C)c1ccc2nc(-c3cccc4ccccc34)[nH]c(=O)c2c1
InChIInChI=1S/C20H17N3O/c1-23(2)14-10-11-18-17(12-14)20(24)22-19(21-18)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,1-2H3,(H,21,22,24)
InChIKeySKVCPKXUVLJUEL-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.81
Rot. Bonds2

About 6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one

6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one (PubChem CID 135659022) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one
PubChem CID135659022
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one
SMILESCN(C)c1ccc2nc(-c3cccc4ccccc34)[nH]c(=O)c2c1
InChIInChI=1S/C20H17N3O/c1-23(2)14-10-11-18-17(12-14)20(24)22-19(21-18)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,1-2H3,(H,21,22,24)
InChIKeySKVCPKXUVLJUEL-UHFFFAOYSA-N
XLogP3.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one 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 6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one?
The IUPAC name of 6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one (CID 135659022) is 6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one.
What is the SMILES notation for 6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one?
The canonical SMILES for 6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one is CN(C)c1ccc2nc(-c3cccc4ccccc34)[nH]c(=O)c2c1.
What is the InChIKey of 6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one?
The InChIKey is SKVCPKXUVLJUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-23(2)14-10-11-18-17(12-14)20(24)22-19(21-18)16-9-5-7-13-6-3-4-8-15(13)16/h3-12H,1-2H3,(H,21,22,24).
What are the key properties of 6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one?
6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one has a molecular weight of 315.38 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-2-naphthalen-1-yl-3H-quinazolin-4-one is sourced from PubChem (CID 135659022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).