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

C19H20N4O4 — CID 9084919

IUPAC2,5-dimethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCc2nc3ccccc3c(=O)n2C)c(C)o1
InChIInChI=1S/C19H20N4O4/c1-11-10-14(12(2)27-11)18(25)22-21-17(24)9-8-16-20-15-7-5-4-6-13(15)19(26)23(16)3/h4-7,10H,8-9H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyKKHGXCSLHWTSJY-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.54
Rot. Bonds4

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

2,5-dimethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]furan-3-carbohydrazide (PubChem CID 9084919) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2,5-dimethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]furan-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]furan-3-carbohydrazide
PubChem CID9084919
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2,5-dimethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]furan-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCc2nc3ccccc3c(=O)n2C)c(C)o1
InChIInChI=1S/C19H20N4O4/c1-11-10-14(12(2)27-11)18(25)22-21-17(24)9-8-16-20-15-7-5-4-6-13(15)19(26)23(16)3/h4-7,10H,8-9H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyKKHGXCSLHWTSJY-UHFFFAOYSA-N
XLogP1.54
TPSA106.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]benzohydrazide
CID 9088102
(2S)-2-(2,3-dimethylphenoxy)-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]propanehydrazide
CID 9088849
N-(2-methoxy-5-methylphenyl)-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
CID 9077881
N'-(2,5-dimethylfuran-3-carbonyl)-2-(4-methoxyphenyl)quinoline-4-carbohydrazide
CID 9468216
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate
CID 30933838
N-[2-(4-methoxyphenoxy)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
CID 8935859
N-[2-(4-fluorophenyl)ethyl]-3-(3-methyl-4-oxoquinazolin-2-yl)propanamide
CID 9080818
3,3-dimethyl-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
CID 110712301
2-(3-fluorophenyl)-N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]acetamide
CID 110712309
2,5-dimethyl-N'-[2-(4-oxocinnolin-1-yl)acetyl]furan-3-carbohydrazide
CID 9084933
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
N-[2-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 110712288

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]furan-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]furan-3-carbohydrazide (CID 9084919) is 2,5-dimethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]furan-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]furan-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]furan-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)CCc2nc3ccccc3c(=O)n2C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]furan-3-carbohydrazide?
The InChIKey is KKHGXCSLHWTSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-11-10-14(12(2)27-11)18(25)22-21-17(24)9-8-16-20-15-7-5-4-6-13(15)19(26)23(16)3/h4-7,10H,8-9H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of 2,5-dimethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]furan-3-carbohydrazide?
2,5-dimethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]furan-3-carbohydrazide has a molecular weight of 368.39 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyl]furan-3-carbohydrazide is sourced from PubChem (CID 9084919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).