5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide

C20H22N4O3S — CID 35410513

IUPAC5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)CCn2cnc3c(C)cccc3c2=O)cc1C
InChIInChI=1S/C20H22N4O3S/c1-4-15-13(3)10-16(28-15)19(26)23-22-17(25)8-9-24-11-21-18-12(2)6-5-7-14(18)20(24)27/h5-7,10-11H,4,8-9H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyVNDHSAULCQIHIR-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.49
Rot. Bonds5

About 5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide

5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide (PubChem CID 35410513) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is 5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide.

Molecular Properties

Compound Name5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide
PubChem CID35410513
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC Name5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide
SMILESCCc1sc(C(=O)NNC(=O)CCn2cnc3c(C)cccc3c2=O)cc1C
InChIInChI=1S/C20H22N4O3S/c1-4-15-13(3)10-16(28-15)19(26)23-22-17(25)8-9-24-11-21-18-12(2)6-5-7-14(18)20(24)27/h5-7,10-11H,4,8-9H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyVNDHSAULCQIHIR-UHFFFAOYSA-N
XLogP2.49
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide 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'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
4-chloro-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 27147734
3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 35376766
4-hydroxy-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]-1-phenylpyrazole-3-carbohydrazide
CID 46698413
N'-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-5-ethyl-4-methylthiophene-2-carbohydrazide
CID 9418418
N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 27006982
N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 32576569
N-[(4-fluoro-3-methylphenyl)methyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26053992
N-(3-cyanothiophen-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27134373
2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl-propylamino]acetic acid
CID 119204774
N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46463322
3-(2-aminoethyl)-8-methylquinazolin-4-one
CID 82506522

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide?
The IUPAC name of 5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide (CID 35410513) is 5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide.
What is the SMILES notation for 5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide?
The canonical SMILES for 5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide is CCc1sc(C(=O)NNC(=O)CCn2cnc3c(C)cccc3c2=O)cc1C.
What is the InChIKey of 5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide?
The InChIKey is VNDHSAULCQIHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-4-15-13(3)10-16(28-15)19(26)23-22-17(25)8-9-24-11-21-18-12(2)6-5-7-14(18)20(24)27/h5-7,10-11H,4,8-9H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide?
5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide has a molecular weight of 398.49 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]thiophene-2-carbohydrazide is sourced from PubChem (CID 35410513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).