2-[(3-benzyl-2,4-dioxoquinazolin-1-yl)methyl]benzonitrile

C23H17N3O2 — CID 6621408

IUPAC2-[(3-benzyl-2,4-dioxoquinazolin-1-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21
InChIInChI=1S/C23H17N3O2/c24-14-18-10-4-5-11-19(18)16-25-21-13-7-6-12-20(21)22(27)26(23(25)28)15-17-8-2-1-3-9-17/h1-13H,15-16H2
InChIKeyQGSFOSBRJIKAKL-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.13
Rot. Bonds4

About 2-[(3-benzyl-2,4-dioxoquinazolin-1-yl)methyl]benzonitrile

2-[(3-benzyl-2,4-dioxoquinazolin-1-yl)methyl]benzonitrile (PubChem CID 6621408) has the molecular formula C23H17N3O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[(3-benzyl-2,4-dioxoquinazolin-1-yl)methyl]benzonitrile.

Molecular Properties

Compound Name2-[(3-benzyl-2,4-dioxoquinazolin-1-yl)methyl]benzonitrile
PubChem CID6621408
Molecular FormulaC23H17N3O2
Molecular Weight367.41 g/mol
Exact Mass367.13
IUPAC Name2-[(3-benzyl-2,4-dioxoquinazolin-1-yl)methyl]benzonitrile
SMILESN#Cc1ccccc1Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21
InChIInChI=1S/C23H17N3O2/c24-14-18-10-4-5-11-19(18)16-25-21-13-7-6-12-20(21)22(27)26(23(25)28)15-17-8-2-1-3-9-17/h1-13H,15-16H2
InChIKeyQGSFOSBRJIKAKL-UHFFFAOYSA-N
XLogP3.13
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
CID 448890
trans-N-Benzyl-4-((1-((2-cyanophenyl)methyl)-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamide
CID 15993586
2-(4-Phenylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
CID 4793207
1,3-Dimethyl-2,4(1H,3H)-quinazolinedione
CID 101217
Nsc158383
CID 292556
Pelanserin
CID 65435
U-29409
CID 286701
3-(4-Methylphenyl)-2-(1-phenylethyl)-1,2-dihydroquinazolin-4-one
CID 4052597
3-[3-(3-Cyano-phenyl)-ureido]-2-[4-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-N-methyl-benzamide
CID 11730796
3-benzyl-2-(4-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3817031
6-Hydroxy-6,6a-dihydroisoindolo[2,1-a]quinazoline-5,11-dione
CID 3238645

Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzyl-2,4-dioxoquinazolin-1-yl)methyl]benzonitrile?
The IUPAC name of 2-[(3-benzyl-2,4-dioxoquinazolin-1-yl)methyl]benzonitrile (CID 6621408) is 2-[(3-benzyl-2,4-dioxoquinazolin-1-yl)methyl]benzonitrile.
What is the SMILES notation for 2-[(3-benzyl-2,4-dioxoquinazolin-1-yl)methyl]benzonitrile?
The canonical SMILES for 2-[(3-benzyl-2,4-dioxoquinazolin-1-yl)methyl]benzonitrile is N#Cc1ccccc1Cn1c(=O)n(Cc2ccccc2)c(=O)c2ccccc21.
What is the InChIKey of 2-[(3-benzyl-2,4-dioxoquinazolin-1-yl)methyl]benzonitrile?
The InChIKey is QGSFOSBRJIKAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O2/c24-14-18-10-4-5-11-19(18)16-25-21-13-7-6-12-20(21)22(27)26(23(25)28)15-17-8-2-1-3-9-17/h1-13H,15-16H2.
What are the key properties of 2-[(3-benzyl-2,4-dioxoquinazolin-1-yl)methyl]benzonitrile?
2-[(3-benzyl-2,4-dioxoquinazolin-1-yl)methyl]benzonitrile has a molecular weight of 367.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzyl-2,4-dioxoquinazolin-1-yl)methyl]benzonitrile is sourced from PubChem (CID 6621408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).