N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide

C24H21N3O4 — CID 39313240

IUPACN-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide
SMILESCOc1ccc(OC)c(-n2cnc3cc(C(=O)NCc4ccccc4)ccc3c2=O)c1
InChIInChI=1S/C24H21N3O4/c1-30-18-9-11-22(31-2)21(13-18)27-15-26-20-12-17(8-10-19(20)24(27)29)23(28)25-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,28)
InChIKeyPQSZANXEUDGJDZ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.33
Rot. Bonds6

About N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide

N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide (PubChem CID 39313240) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide
PubChem CID39313240
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC NameN-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide
SMILESCOc1ccc(OC)c(-n2cnc3cc(C(=O)NCc4ccccc4)ccc3c2=O)c1
InChIInChI=1S/C24H21N3O4/c1-30-18-9-11-22(31-2)21(13-18)27-15-26-20-12-17(8-10-19(20)24(27)29)23(28)25-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,28)
InChIKeyPQSZANXEUDGJDZ-UHFFFAOYSA-N
XLogP3.33
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,5-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39340542
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
1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 3594822
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
3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
CID 45491897
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
N-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39341853
4-(4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 24512913

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide?
The IUPAC name of N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide (CID 39313240) is N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide is COc1ccc(OC)c(-n2cnc3cc(C(=O)NCc4ccccc4)ccc3c2=O)c1.
What is the InChIKey of N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide?
The InChIKey is PQSZANXEUDGJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-30-18-9-11-22(31-2)21(13-18)27-15-26-20-12-17(8-10-19(20)24(27)29)23(28)25-14-16-6-4-3-5-7-16/h3-13,15H,14H2,1-2H3,(H,25,28).
What are the key properties of N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide?
N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2,5-dimethoxyphenyl)-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 39313240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).