3-methoxy-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)benzamide

C17H17N3O3 — CID 665739

IUPAC3-methoxy-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ncc3c(n2)CC(C)CC3=O)c1
InChIInChI=1S/C17H17N3O3/c1-10-6-14-13(15(21)7-10)9-18-17(19-14)20-16(22)11-4-3-5-12(8-11)23-2/h3-5,8-10H,6-7H2,1-2H3,(H,18,19,20,22)
InChIKeyKIFAXQBBSLGERQ-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.50
Rot. Bonds3

About 3-methoxy-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)benzamide

3-methoxy-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)benzamide (PubChem CID 665739) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-methoxy-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)benzamide
PubChem CID665739
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-methoxy-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2ncc3c(n2)CC(C)CC3=O)c1
InChIInChI=1S/C17H17N3O3/c1-10-6-14-13(15(21)7-10)9-18-17(19-14)20-16(22)11-4-3-5-12(8-11)23-2/h3-5,8-10H,6-7H2,1-2H3,(H,18,19,20,22)
InChIKeyKIFAXQBBSLGERQ-UHFFFAOYSA-N
XLogP2.50
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.50
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-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)benzamide (CID 665739) is 3-methoxy-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)benzamide is COc1cccc(C(=O)Nc2ncc3c(n2)CC(C)CC3=O)c1.
What is the InChIKey of 3-methoxy-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)benzamide?
The InChIKey is KIFAXQBBSLGERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-6-14-13(15(21)7-10)9-18-17(19-14)20-16(22)11-4-3-5-12(8-11)23-2/h3-5,8-10H,6-7H2,1-2H3,(H,18,19,20,22).
What are the key properties of 3-methoxy-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)benzamide?
3-methoxy-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)benzamide has a molecular weight of 311.34 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(7-methyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)benzamide is sourced from PubChem (CID 665739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).