3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide

C23H20N4O4 — CID 39048130

IUPAC3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
SMILESCOc1ccc(OC)c(-n2cnc3cc(C(=O)NCc4cccnc4)ccc3c2=O)c1
InChIInChI=1S/C23H20N4O4/c1-30-17-6-8-21(31-2)20(11-17)27-14-26-19-10-16(5-7-18(19)23(27)29)22(28)25-13-15-4-3-9-24-12-15/h3-12,14H,13H2,1-2H3,(H,25,28)
InChIKeyUQWCQLSNRJHLFZ-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.73
Rot. Bonds6

About 3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide

3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide (PubChem CID 39048130) has the molecular formula C23H20N4O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
PubChem CID39048130
Molecular FormulaC23H20N4O4
Molecular Weight416.44 g/mol
Exact Mass416.15
IUPAC Name3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
SMILESCOc1ccc(OC)c(-n2cnc3cc(C(=O)NCc4cccnc4)ccc3c2=O)c1
InChIInChI=1S/C23H20N4O4/c1-30-17-6-8-21(31-2)20(11-17)27-14-26-19-10-16(5-7-18(19)23(27)29)22(28)25-13-15-4-3-9-24-12-15/h3-12,14H,13H2,1-2H3,(H,25,28)
InChIKeyUQWCQLSNRJHLFZ-UHFFFAOYSA-N
XLogP2.73
TPSA95.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.73
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)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39340542
3-(3-chloro-4-methoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide
CID 45491897
3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-4-oxoquinazoline-7-carboxamide
CID 39334024
1-[4-[3-(4-methoxyphenoxy)propoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 67012284
N-(2,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39331968
1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 3594822
N-(2,4-dimethoxyphenyl)-3-(2-methoxyphenyl)-4-oxoquinazoline-7-carboxamide
CID 39342674
6-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157978
3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide
CID 39347985
2,3-bis(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)quinoxaline-6-carboxamide
CID 5073153
1-[4-[(4-methylphenyl)methoxy]phenyl]-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide
CID 11751247

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide (CID 39048130) is 3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide is COc1ccc(OC)c(-n2cnc3cc(C(=O)NCc4cccnc4)ccc3c2=O)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide?
The InChIKey is UQWCQLSNRJHLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O4/c1-30-17-6-8-21(31-2)20(11-17)27-14-26-19-10-16(5-7-18(19)23(27)29)22(28)25-13-15-4-3-9-24-12-15/h3-12,14H,13H2,1-2H3,(H,25,28).
What are the key properties of 3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide?
3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide has a molecular weight of 416.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-4-oxo-N-(pyridin-3-ylmethyl)quinazoline-7-carboxamide is sourced from PubChem (CID 39048130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).