N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide

C23H21N3O4 — CID 2900156

IUPACN-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
SMILESCOc1ccc(C2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1OC
InChIInChI=1S/C23H21N3O4/c1-29-20-9-8-15(12-21(20)30-2)16-10-18-17(19(27)11-16)13-24-23(25-18)26-22(28)14-6-4-3-5-7-14/h3-9,12-13,16H,10-11H2,1-2H3,(H,24,25,26,28)
InChIKeyCAJYTAURGVSELO-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.66
Rot. Bonds5

About N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide

N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide (PubChem CID 2900156) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide.

Molecular Properties

Compound NameN-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
PubChem CID2900156
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC NameN-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
SMILESCOc1ccc(C2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1OC
InChIInChI=1S/C23H21N3O4/c1-29-20-9-8-15(12-21(20)30-2)16-10-18-17(19(27)11-16)13-24-23(25-18)26-22(28)14-6-4-3-5-7-14/h3-9,12-13,16H,10-11H2,1-2H3,(H,24,25,26,28)
InChIKeyCAJYTAURGVSELO-UHFFFAOYSA-N
XLogP3.66
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?
The IUPAC name of N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide (CID 2900156) is N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide.
What is the SMILES notation for N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?
The canonical SMILES for N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide is COc1ccc(C2CC(=O)c3cnc(NC(=O)c4ccccc4)nc3C2)cc1OC.
What is the InChIKey of N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?
The InChIKey is CAJYTAURGVSELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-29-20-9-8-15(12-21(20)30-2)16-10-18-17(19(27)11-16)13-24-23(25-18)26-22(28)14-6-4-3-5-7-14/h3-9,12-13,16H,10-11H2,1-2H3,(H,24,25,26,28).
What are the key properties of N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?
N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide has a molecular weight of 403.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(3,4-dimethoxyphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide is sourced from PubChem (CID 2900156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).