3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile

C25H15N3O2 — CID 175627262

IUPAC3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(=O)n(-c4cccc5ccccc45)c(=O)[nH]c3c2)c1
InChIInChI=1S/C25H15N3O2/c26-15-16-5-3-8-18(13-16)19-11-12-21-22(14-19)27-25(30)28(24(21)29)23-10-4-7-17-6-1-2-9-20(17)23/h1-14H,(H,27,30)
InChIKeyRVIOSBBNENUATH-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.37
Rot. Bonds2

About 3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile

3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile (PubChem CID 175627262) has the molecular formula C25H15N3O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile.

Molecular Properties

Compound Name3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile
PubChem CID175627262
Molecular FormulaC25H15N3O2
Molecular Weight389.41 g/mol
Exact Mass389.12
IUPAC Name3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile
SMILESN#Cc1cccc(-c2ccc3c(=O)n(-c4cccc5ccccc45)c(=O)[nH]c3c2)c1
InChIInChI=1S/C25H15N3O2/c26-15-16-5-3-8-18(13-16)19-11-12-21-22(14-19)27-25(30)28(24(21)29)23-10-4-7-17-6-1-2-9-20(17)23/h1-14H,(H,27,30)
InChIKeyRVIOSBBNENUATH-UHFFFAOYSA-N
XLogP4.37
TPSA78.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile
CID 170773098
7-(2,6-dichlorophenyl)-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 175627384
7-[2-(2-chlorophenyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 175627336
3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 11266204
7-[2-(difluoromethyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 175627281
3-isoquinolin-4-yl-7-naphthalen-2-yl-1H-quinazoline-2,4-dione
CID 170773945
7-[2-chloro-6-(5-fluoro-3-pyridinyl)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 175627570
4-[3-chloro-2-(3-isoquinolin-4-yl-2,4-dioxo-1H-quinazolin-7-yl)phenyl]-1-methylpyrazole-3-carbonitrile
CID 170772778
7-[2-chloro-6-(1,3-thiazol-4-ylmethoxy)phenyl]-3-naphthalen-1-yl-1H-quinazoline-2,4-dione
CID 175627367
7-(2-chloro-6-fluorophenyl)-3-isoquinolin-4-yl-1H-quinazoline-2,4-dione
CID 170772233
4-[2,6,7-tris(4-cyanophenyl)-9-naphthalen-1-ylcarbazol-3-yl]benzonitrile
CID 167090699
7-amino-3-(2-aminophenyl)-1H-quinazoline-2,4-dione
CID 21275141

Frequently Asked Questions

What is the IUPAC name of 3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile?
The IUPAC name of 3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile (CID 175627262) is 3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile.
What is the SMILES notation for 3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile?
The canonical SMILES for 3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile is N#Cc1cccc(-c2ccc3c(=O)n(-c4cccc5ccccc45)c(=O)[nH]c3c2)c1.
What is the InChIKey of 3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile?
The InChIKey is RVIOSBBNENUATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N3O2/c26-15-16-5-3-8-18(13-16)19-11-12-21-22(14-19)27-25(30)28(24(21)29)23-10-4-7-17-6-1-2-9-20(17)23/h1-14H,(H,27,30).
What are the key properties of 3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile?
3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile has a molecular weight of 389.41 g/mol, XLogP of 4.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-naphthalen-1-yl-2,4-dioxo-1H-quinazolin-7-yl)benzonitrile is sourced from PubChem (CID 175627262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).