3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide

C20H19N3O3 — CID 66919147

IUPAC3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide
SMILESCc1ccc(C(=O)NC2(C)CC2)cc1-n1cnc2ccc(O)cc2c1=O
InChIInChI=1S/C20H19N3O3/c1-12-3-4-13(18(25)22-20(2)7-8-20)9-17(12)23-11-21-16-6-5-14(24)10-15(16)19(23)26/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,25)
InChIKeyOMTQFXPXTHLDDR-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.68
Rot. Bonds3

About 3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide

3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide (PubChem CID 66919147) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide
PubChem CID66919147
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide
SMILESCc1ccc(C(=O)NC2(C)CC2)cc1-n1cnc2ccc(O)cc2c1=O
InChIInChI=1S/C20H19N3O3/c1-12-3-4-13(18(25)22-20(2)7-8-20)9-17(12)23-11-21-16-6-5-14(24)10-15(16)19(23)26/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,25)
InChIKeyOMTQFXPXTHLDDR-UHFFFAOYSA-N
XLogP2.68
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide?
The IUPAC name of 3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide (CID 66919147) is 3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide.
What is the SMILES notation for 3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide?
The canonical SMILES for 3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide is Cc1ccc(C(=O)NC2(C)CC2)cc1-n1cnc2ccc(O)cc2c1=O.
What is the InChIKey of 3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide?
The InChIKey is OMTQFXPXTHLDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12-3-4-13(18(25)22-20(2)7-8-20)9-17(12)23-11-21-16-6-5-14(24)10-15(16)19(23)26/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,25).
What are the key properties of 3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide?
3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide has a molecular weight of 349.39 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxy-4-oxoquinazolin-3-yl)-4-methyl-N-(1-methylcyclopropyl)benzamide is sourced from PubChem (CID 66919147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).