4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide

C25H23N3O5 — CID 24512913

IUPAC4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C25H23N3O5/c1-31-21-13-23(33-3)22(32-2)12-17(21)14-26-24(29)16-8-10-18(11-9-16)28-15-27-20-7-5-4-6-19(20)25(28)30/h4-13,15H,14H2,1-3H3,(H,26,29)
InChIKeyBGNGYXIXUAOKGG-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.34
Rot. Bonds7

About 4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide

4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 24512913) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID24512913
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C25H23N3O5/c1-31-21-13-23(33-3)22(32-2)12-17(21)14-26-24(29)16-8-10-18(11-9-16)28-15-27-20-7-5-4-6-19(20)25(28)30/h4-13,15H,14H2,1-3H3,(H,26,29)
InChIKeyBGNGYXIXUAOKGG-UHFFFAOYSA-N
XLogP3.34
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-methylthiophen-2-yl)methyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 32987474
N-[2-(diethylamino)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 29368993
N-[(5-bromo-2-methoxyphenyl)methyl]-4-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 20916026
methyl 3-methyl-2-[[4-(4-oxoquinazolin-3-yl)benzoyl]amino]butanoate
CID 17464811
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-4-(benzimidazol-1-yl)benzamide
CID 55866271
N'-[4-(diethylamino)benzoyl]-4-(4-oxoquinazolin-3-yl)benzohydrazide
CID 24513988
N-[2-(4-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24512604
N-[(4-methoxyphenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)benzamide
CID 24641669
3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39334024
N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39313240
3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
CID 45491897
4-oxo-3-propyl-N-[(2,4,5-trimethoxyphenyl)methyl]phthalazine-1-carboxamide
CID 27843459

Frequently Asked Questions

What is the IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide (CID 24512913) is 4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1.
What is the InChIKey of 4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is BGNGYXIXUAOKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-31-21-13-23(33-3)22(32-2)12-17(21)14-26-24(29)16-8-10-18(11-9-16)28-15-27-20-7-5-4-6-19(20)25(28)30/h4-13,15H,14H2,1-3H3,(H,26,29).
What are the key properties of 4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide?
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 445.48 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 24512913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).