3-methoxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzamide

C16H17N3O3 — CID 135476803

IUPAC3-methoxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc3c(c(=O)[nH]2)CCCC3)c1
InChIInChI=1S/C16H17N3O3/c1-22-11-6-4-5-10(9-11)14(20)18-16-17-13-8-3-2-7-12(13)15(21)19-16/h4-6,9H,2-3,7-8H2,1H3,(H2,17,18,19,20,21)
InChIKeyQDYSXNPTVRQIIA-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.91
Rot. Bonds3

About 3-methoxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzamide

3-methoxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzamide (PubChem CID 135476803) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-methoxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzamide
PubChem CID135476803
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-methoxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzamide
SMILESCOc1cccc(C(=O)Nc2nc3c(c(=O)[nH]2)CCCC3)c1
InChIInChI=1S/C16H17N3O3/c1-22-11-6-4-5-10(9-11)14(20)18-16-17-13-8-3-2-7-12(13)15(21)19-16/h4-6,9H,2-3,7-8H2,1H3,(H2,17,18,19,20,21)
InChIKeyQDYSXNPTVRQIIA-UHFFFAOYSA-N
XLogP1.91
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzamide?
The IUPAC name of 3-methoxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzamide (CID 135476803) is 3-methoxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzamide.
What is the SMILES notation for 3-methoxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzamide?
The canonical SMILES for 3-methoxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzamide is COc1cccc(C(=O)Nc2nc3c(c(=O)[nH]2)CCCC3)c1.
What is the InChIKey of 3-methoxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzamide?
The InChIKey is QDYSXNPTVRQIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-11-6-4-5-10(9-11)14(20)18-16-17-13-8-3-2-7-12(13)15(21)19-16/h4-6,9H,2-3,7-8H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 3-methoxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzamide?
3-methoxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzamide has a molecular weight of 299.33 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)benzamide is sourced from PubChem (CID 135476803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).