3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide

C25H23N3O5 — CID 39340542

IUPAC3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(=O)n(-c4cc(OC)ccc4OC)cnc3c2)cc1
InChIInChI=1S/C25H23N3O5/c1-31-18-7-4-16(5-8-18)14-26-24(29)17-6-10-20-21(12-17)27-15-28(25(20)30)22-13-19(32-2)9-11-23(22)33-3/h4-13,15H,14H2,1-3H3,(H,26,29)
InChIKeyWESFVYFVLTVDIC-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.34
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide

3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide (PubChem CID 39340542) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
PubChem CID39340542
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc3c(=O)n(-c4cc(OC)ccc4OC)cnc3c2)cc1
InChIInChI=1S/C25H23N3O5/c1-31-18-7-4-16(5-8-18)14-26-24(29)17-6-10-20-21(12-17)27-15-28(25(20)30)22-13-19(32-2)9-11-23(22)33-3/h4-13,15H,14H2,1-3H3,(H,26,29)
InChIKeyWESFVYFVLTVDIC-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-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39313240
3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
CID 39048130
3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39334024
N-(2,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39331968
N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39342674
3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide
CID 39347985
N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide
CID 5012814
3-(4-methoxyphenyl)-N-(2-methylpropyl)-4-oxoquinazoline-7-carboxamide
CID 39314202
1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 3594822
3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
CID 45491897
3-(3-chloro-4-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]-4-oxoquinazoline-7-carboxamide
CID 45491616
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide (CID 39340542) is 3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide is COc1ccc(CNC(=O)c2ccc3c(=O)n(-c4cc(OC)ccc4OC)cnc3c2)cc1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide?
The InChIKey is WESFVYFVLTVDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-31-18-7-4-16(5-8-18)14-26-24(29)17-6-10-20-21(12-17)27-15-28(25(20)30)22-13-19(32-2)9-11-23(22)33-3/h4-13,15H,14H2,1-3H3,(H,26,29).
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide?
3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide 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 3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 39340542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).