N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide

C19H18N4O3 — CID 25326839

IUPACN'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
SMILESCc1cccc2c(=O)n(CCC(=O)NNC(=O)c3ccccc3)cnc12
InChIInChI=1S/C19H18N4O3/c1-13-6-5-9-15-17(13)20-12-23(19(15)26)11-10-16(24)21-22-18(25)14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeySEWBXLNHQPOZLO-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.56
Rot. Bonds4

About N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide

N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide (PubChem CID 25326839) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
PubChem CID25326839
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
SMILESCc1cccc2c(=O)n(CCC(=O)NNC(=O)c3ccccc3)cnc12
InChIInChI=1S/C19H18N4O3/c1-13-6-5-9-15-17(13)20-12-23(19(15)26)11-10-16(24)21-22-18(25)14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,25)
InChIKeySEWBXLNHQPOZLO-UHFFFAOYSA-N
XLogP1.56
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 27147734
4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide
CID 46698413
5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide
CID 35410513
3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 35376766
3-(8-methyl-4-oxoquinazolin-3-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 24682780
N-benzyl-N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147978
1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 71942414
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808

Frequently Asked Questions

What is the IUPAC name of N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide?
The IUPAC name of N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide (CID 25326839) is N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide.
What is the SMILES notation for N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide?
The canonical SMILES for N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide is Cc1cccc2c(=O)n(CCC(=O)NNC(=O)c3ccccc3)cnc12.
What is the InChIKey of N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide?
The InChIKey is SEWBXLNHQPOZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-6-5-9-15-17(13)20-12-23(19(15)26)11-10-16(24)21-22-18(25)14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide?
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide has a molecular weight of 350.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide is sourced from PubChem (CID 25326839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).