4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide

C18H16N4O4 — CID 135767696

IUPAC4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H16N4O4/c23-12-7-5-11(6-8-12)17(25)22-21-16(24)10-9-15-19-14-4-2-1-3-13(14)18(26)20-15/h1-8,23H,9-10H2,(H,21,24)(H,22,25)(H,19,20,26)
InChIKeyMHARKUCJOTZRJX-UHFFFAOYSA-N
MW352.35 g/mol
LogP1.02
Rot. Bonds4

About 4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide

4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide (PubChem CID 135767696) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is 4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound Name4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
PubChem CID135767696
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
SMILESO=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1ccc(O)cc1
InChIInChI=1S/C18H16N4O4/c23-12-7-5-11(6-8-12)17(25)22-21-16(24)10-9-15-19-14-4-2-1-3-13(14)18(26)20-15/h1-8,23H,9-10H2,(H,21,24)(H,22,25)(H,19,20,26)
InChIKeyMHARKUCJOTZRJX-UHFFFAOYSA-N
XLogP1.02
TPSA124.18 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135915051
4-[(4-chloro-3-methylphenoxy)methyl]-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide
CID 135991431
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137007136
N'-[3-(1H-benzimidazol-2-yl)propanoyl]-4-chlorobenzohydrazide
CID 27449168
3-(4-oxo-3H-quinazolin-2-yl)-N-(2-phenylethyl)propanamide
CID 135636453
N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
N,N-dimethyl-4-[[3-(4-oxo-3H-quinazolin-2-yl)propanoylamino]methyl]benzamide
CID 137300676
N-(4-anilinophenyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137258775
3-(4-oxo-3H-quinazolin-2-yl)-N-prop-2-ynylpropanamide
CID 135687166
N-(3-hydroxy-2-pyridinyl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135711256
N-(1H-benzimidazol-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135830175
N-(2-methylbutan-2-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135522437

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide?
The IUPAC name of 4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide (CID 135767696) is 4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide.
What is the SMILES notation for 4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide?
The canonical SMILES for 4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide is O=C(CCc1nc2ccccc2c(=O)[nH]1)NNC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide?
The InChIKey is MHARKUCJOTZRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c23-12-7-5-11(6-8-12)17(25)22-21-16(24)10-9-15-19-14-4-2-1-3-13(14)18(26)20-15/h1-8,23H,9-10H2,(H,21,24)(H,22,25)(H,19,20,26).
What are the key properties of 4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide?
4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide has a molecular weight of 352.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N'-[3-(4-oxo-3H-quinazolin-2-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 135767696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).