4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide

C25H24FN5O2 — CID 152753790

IUPAC4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide
SMILESCCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)NN)c(-c2cccc(F)c2)c1
InChIInChI=1S/C25H24FN5O2/c1-3-31(14-16-7-10-23-22(11-16)24(32)29-15(2)28-23)19-8-9-20(25(33)30-27)21(13-19)17-5-4-6-18(26)12-17/h4-13H,3,14,27H2,1-2H3,(H,30,33)(H,28,29,32)
InChIKeyRDCUYJQHLHUTBY-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.67
Rot. Bonds6

About 4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide

4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide (PubChem CID 152753790) has the molecular formula C25H24FN5O2 and a molecular weight of 445.50 g/mol. Its IUPAC name is 4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide.

Molecular Properties

Compound Name4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide
PubChem CID152753790
Molecular FormulaC25H24FN5O2
Molecular Weight445.50 g/mol
Exact Mass445.19
IUPAC Name4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide
SMILESCCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)NN)c(-c2cccc(F)c2)c1
InChIInChI=1S/C25H24FN5O2/c1-3-31(14-16-7-10-23-22(11-16)24(32)29-15(2)28-23)19-8-9-20(25(33)30-27)21(13-19)17-5-4-6-18(26)12-17/h4-13H,3,14,27H2,1-2H3,(H,30,33)(H,28,29,32)
InChIKeyRDCUYJQHLHUTBY-UHFFFAOYSA-N
XLogP3.67
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide
CID 135531200
N-methyl-4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide
CID 135543646
(2R)-2-[[(4S)-4-carboxy-4-[[2-fluoro-4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]butanoyl]amino]pentanedioic acid
CID 135424052
ditert-butyl (2R)-2-[[(4S)-4-[[4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]benzoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]pentanedioate
CID 135485888
tert-butyl (2S)-2-[[4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]benzoyl]amino]-5-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-5-oxopentanoate
CID 135469208
2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 135588789
4-[methyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]benzoic acid
CID 135815030
4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-(2-oxo-1-phenylpropyl)benzamide
CID 135674986
ethyl 2-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-1,3-thiazole-5-carboxylate
CID 135966498
N-[2-(butylamino)ethyl]-4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzamide
CID 135603718
(2S)-2-[[2-[4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]acetyl]amino]pentanedioic acid
CID 136649849
4-[2-hydroxyethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-N-[(3-nitrophenyl)methyl]benzamide
CID 135994947

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide?
The IUPAC name of 4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide (CID 152753790) is 4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide.
What is the SMILES notation for 4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide?
The canonical SMILES for 4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide is CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)NN)c(-c2cccc(F)c2)c1.
What is the InChIKey of 4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide?
The InChIKey is RDCUYJQHLHUTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O2/c1-3-31(14-16-7-10-23-22(11-16)24(32)29-15(2)28-23)19-8-9-20(25(33)30-27)21(13-19)17-5-4-6-18(26)12-17/h4-13H,3,14,27H2,1-2H3,(H,30,33)(H,28,29,32).
What are the key properties of 4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide?
4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide has a molecular weight of 445.50 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl]amino]-2-(3-fluorophenyl)benzohydrazide is sourced from PubChem (CID 152753790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).