7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one

C20H20N4O2 — CID 136559134

IUPAC7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one
SMILESO=C(c1ccc2c(=O)[nH]cnc2c1)N1CCCN(c2ccccc2)CC1
InChIInChI=1S/C20H20N4O2/c25-19-17-8-7-15(13-18(17)21-14-22-19)20(26)24-10-4-9-23(11-12-24)16-5-2-1-3-6-16/h1-3,5-8,13-14H,4,9-12H2,(H,21,22,25)
InChIKeyVWGVOCJUVWKGMT-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.28
Rot. Bonds2

About 7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one

7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one (PubChem CID 136559134) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one
PubChem CID136559134
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one
SMILESO=C(c1ccc2c(=O)[nH]cnc2c1)N1CCCN(c2ccccc2)CC1
InChIInChI=1S/C20H20N4O2/c25-19-17-8-7-15(13-18(17)21-14-22-19)20(26)24-10-4-9-23(11-12-24)16-5-2-1-3-6-16/h1-3,5-8,13-14H,4,9-12H2,(H,21,22,25)
InChIKeyVWGVOCJUVWKGMT-UHFFFAOYSA-N
XLogP2.28
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358
7-[3-[benzyl(methyl)amino]pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 155953985
(2,3-dimethylquinoxalin-6-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9032564
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-3H-quinazolin-4-one
CID 155953976
5-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 4826168
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
1,3-benzothiazol-6-yl-(4-phenylpiperazin-1-yl)methanone
CID 2496275
7-(1'-methylspiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carbonyl)-3H-quinazolin-4-one
CID 155954004
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone
CID 53010054
7-(2-oxo-1,3,4,5,7,8-hexahydro-1,6-naphthyridine-6-carbonyl)-3H-quinazolin-4-one
CID 167743252

Frequently Asked Questions

What is the IUPAC name of 7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one?
The IUPAC name of 7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one (CID 136559134) is 7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one.
What is the SMILES notation for 7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one?
The canonical SMILES for 7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one is O=C(c1ccc2c(=O)[nH]cnc2c1)N1CCCN(c2ccccc2)CC1.
What is the InChIKey of 7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one?
The InChIKey is VWGVOCJUVWKGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19-17-8-7-15(13-18(17)21-14-22-19)20(26)24-10-4-9-23(11-12-24)16-5-2-1-3-6-16/h1-3,5-8,13-14H,4,9-12H2,(H,21,22,25).
What are the key properties of 7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one?
7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one has a molecular weight of 348.41 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-phenyl-1,4-diazepane-1-carbonyl)-3H-quinazolin-4-one is sourced from PubChem (CID 136559134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).