3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide

C13H13N3O3 — CID 88582092

IUPAC3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide
SMILESO=C(NO)c1ccc2c(=O)n(CC3CC3)cnc2c1
InChIInChI=1S/C13H13N3O3/c17-12(15-19)9-3-4-10-11(5-9)14-7-16(13(10)18)6-8-1-2-8/h3-5,7-8,19H,1-2,6H2,(H,15,17)
InChIKeyUBQGBCRMNWXMDZ-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.93
Rot. Bonds3

About 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide

3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide (PubChem CID 88582092) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide
PubChem CID88582092
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide
SMILESO=C(NO)c1ccc2c(=O)n(CC3CC3)cnc2c1
InChIInChI=1S/C13H13N3O3/c17-12(15-19)9-3-4-10-11(5-9)14-7-16(13(10)18)6-8-1-2-8/h3-5,7-8,19H,1-2,6H2,(H,15,17)
InChIKeyUBQGBCRMNWXMDZ-UHFFFAOYSA-N
XLogP0.93
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide
CID 87413173
4-oxo-3-propylquinazoline-7-carbohydrazide
CID 66485394
3-(cyclopropylmethyl)-7-[4-(2-hydroxycyclopentyl)piperazin-1-yl]quinazolin-4-one
CID 126897903
3-(cyclopropylmethyl)-7-[4-[2-(oxolan-2-yl)acetyl]piperazin-1-yl]quinazolin-4-one
CID 126897666
N-(cyclopropylmethyl)-3-[2-(2,5-dimethylanilino)-2-oxoethyl]-4-oxoquinazoline-7-carboxamide
CID 50844589
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-(cyclopropylmethyl)quinazolin-4-one
CID 126897722
7-[4-[(1-acetylpyrrolidin-3-yl)methyl]piperazin-1-yl]-3-(cyclopropylmethyl)quinazolin-4-one
CID 126897842
3-(cyclopropylmethyl)-7-[4-(oxolan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897874
3-(cyclopropylmethyl)-7-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126897751
3-(cyclopropylmethyl)-7-[4-(1,5-dimethylpyrazole-3-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126897686
N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide
CID 53015892
4-[(4-oxoquinazolin-3-yl)methyl]-N-[4-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 4911915

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide?
The IUPAC name of 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide (CID 88582092) is 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide?
The canonical SMILES for 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide is O=C(NO)c1ccc2c(=O)n(CC3CC3)cnc2c1.
What is the InChIKey of 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide?
The InChIKey is UBQGBCRMNWXMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-12(15-19)9-3-4-10-11(5-9)14-7-16(13(10)18)6-8-1-2-8/h3-5,7-8,19H,1-2,6H2,(H,15,17).
What are the key properties of 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide?
3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide has a molecular weight of 259.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-N-hydroxy-4-oxoquinazoline-7-carboxamide is sourced from PubChem (CID 88582092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).