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

C23H21N3O3 — CID 5174165

IUPAC3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ncc3c(n2)CC(c2ccc(C)cc2)CC3=O)c1
InChIInChI=1S/C23H21N3O3/c1-14-6-8-15(9-7-14)17-11-20-19(21(27)12-17)13-24-23(25-20)26-22(28)16-4-3-5-18(10-16)29-2/h3-10,13,17H,11-12H2,1-2H3,(H,24,25,26,28)
InChIKeyNQKYTXIYDKHUQR-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.96
Rot. Bonds4

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

3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide (PubChem CID 5174165) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
PubChem CID5174165
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2ncc3c(n2)CC(c2ccc(C)cc2)CC3=O)c1
InChIInChI=1S/C23H21N3O3/c1-14-6-8-15(9-7-14)17-11-20-19(21(27)12-17)13-24-23(25-20)26-22(28)16-4-3-5-18(10-16)29-2/h3-10,13,17H,11-12H2,1-2H3,(H,24,25,26,28)
InChIKeyNQKYTXIYDKHUQR-UHFFFAOYSA-N
XLogP3.96
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?
The IUPAC name of 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide (CID 5174165) is 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide is COc1cccc(C(=O)Nc2ncc3c(n2)CC(c2ccc(C)cc2)CC3=O)c1.
What is the InChIKey of 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?
The InChIKey is NQKYTXIYDKHUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14-6-8-15(9-7-14)17-11-20-19(21(27)12-17)13-24-23(25-20)26-22(28)16-4-3-5-18(10-16)29-2/h3-10,13,17H,11-12H2,1-2H3,(H,24,25,26,28).
What are the key properties of 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide?
3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide has a molecular weight of 387.44 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[7-(4-methylphenyl)-5-oxo-7,8-dihydro-6H-quinazolin-2-yl]benzamide is sourced from PubChem (CID 5174165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).