4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide

C22H17N3O2 — CID 167909516

IUPAC4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide
SMILESNC(=O)c1ccc(Cc2nc3cc(-c4ccccc4)ccc3c(=O)[nH]2)cc1
InChIInChI=1S/C22H17N3O2/c23-21(26)16-8-6-14(7-9-16)12-20-24-19-13-17(15-4-2-1-3-5-15)10-11-18(19)22(27)25-20/h1-11,13H,12H2,(H2,23,26)(H,24,25,27)
InChIKeyJSCLVSDMEHMLHK-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.28
Rot. Bonds4

About 4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide

4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide (PubChem CID 167909516) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide
PubChem CID167909516
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide
SMILESNC(=O)c1ccc(Cc2nc3cc(-c4ccccc4)ccc3c(=O)[nH]2)cc1
InChIInChI=1S/C22H17N3O2/c23-21(26)16-8-6-14(7-9-16)12-20-24-19-13-17(15-4-2-1-3-5-15)10-11-18(19)22(27)25-20/h1-11,13H,12H2,(H2,23,26)(H,24,25,27)
InChIKeyJSCLVSDMEHMLHK-UHFFFAOYSA-N
XLogP3.28
TPSA88.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]methyl]benzamide
CID 135926229
2-[(4-bromophenyl)methyl]-3H-quinazolin-4-one
CID 137240406
methyl 2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 154769313
2-[(3,4-diethoxyphenyl)methyl]-4-oxo-3H-quinazoline-7-carboxylic acid
CID 135833221
[2-[(3,4-dichlorophenyl)methyl]-4-oxo-3H-quinazolin-7-yl]carbamic acid
CID 136650821
methyl 4-oxo-2-[[1-(4-phenylphenyl)ethylamino]methyl]-3H-quinazoline-7-carboxylate
CID 135997872
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
(4-oxo-3H-quinazolin-2-yl)methyl 4-ethylbenzoate
CID 135734851
7-phenyl-3H-1,2,3-benzotriazin-4-one
CID 175381328
4-[[2-(trifluoromethyl)quinolin-4-yl]methyl]benzamide
CID 22392850
4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid
CID 135833192
methyl 2-benzyl-4-oxo-3,9-dihydropyrimido[4,5-b]indole-7-carboxylate
CID 136953102

Frequently Asked Questions

What is the IUPAC name of 4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide?
The IUPAC name of 4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide (CID 167909516) is 4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide.
What is the SMILES notation for 4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide?
The canonical SMILES for 4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide is NC(=O)c1ccc(Cc2nc3cc(-c4ccccc4)ccc3c(=O)[nH]2)cc1.
What is the InChIKey of 4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide?
The InChIKey is JSCLVSDMEHMLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c23-21(26)16-8-6-14(7-9-16)12-20-24-19-13-17(15-4-2-1-3-5-15)10-11-18(19)22(27)25-20/h1-11,13H,12H2,(H2,23,26)(H,24,25,27).
What are the key properties of 4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide?
4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide has a molecular weight of 355.40 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxo-7-phenyl-3H-quinazolin-2-yl)methyl]benzamide is sourced from PubChem (CID 167909516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).