2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide

C18H18N4O4 — CID 27019627

IUPAC2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)Cn2cnc3c(C)cccc3c2=O)c(C)o1
InChIInChI=1S/C18H18N4O4/c1-10-5-4-6-13-16(10)19-9-22(18(13)25)8-15(23)20-21-17(24)14-7-11(2)26-12(14)3/h4-7,9H,8H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyDMSMCSPXZFWWCV-UHFFFAOYSA-N
MW354.37 g/mol
LogP1.38
Rot. Bonds3

About 2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide

2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide (PubChem CID 27019627) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide
PubChem CID27019627
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)Cn2cnc3c(C)cccc3c2=O)c(C)o1
InChIInChI=1S/C18H18N4O4/c1-10-5-4-6-13-16(10)19-9-22(18(13)25)8-15(23)20-21-17(24)14-7-11(2)26-12(14)3/h4-7,9H,8H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyDMSMCSPXZFWWCV-UHFFFAOYSA-N
XLogP1.38
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide with MolForge

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Related Compounds

N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 94798329
N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-1H-indole-3-carbohydrazide
CID 27021791
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
methyl 2-methyl-5-[[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]methyl]furan-3-carboxylate
CID 55612647
N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 27006982
N'-(2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetohydrazide
CID 150829256
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(4-methyl-2-pyridinyl)acetamide
CID 35030582
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 87026199
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
N'-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]benzohydrazide
CID 25326839
N-(4-bromo-2-methylphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51264976

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide (CID 27019627) is 2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)Cn2cnc3c(C)cccc3c2=O)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide?
The InChIKey is DMSMCSPXZFWWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-10-5-4-6-13-16(10)19-9-22(18(13)25)8-15(23)20-21-17(24)14-7-11(2)26-12(14)3/h4-7,9H,8H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide has a molecular weight of 354.37 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]furan-3-carbohydrazide is sourced from PubChem (CID 27019627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).