5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide

C15H13BrN4O3 — CID 18139325

IUPAC5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide
SMILESCCn1c(NNC(=O)c2ccc(Br)o2)nc2ccccc2c1=O
InChIInChI=1S/C15H13BrN4O3/c1-2-20-14(22)9-5-3-4-6-10(9)17-15(20)19-18-13(21)11-7-8-12(16)23-11/h3-8H,2H2,1H3,(H,17,19)(H,18,21)
InChIKeyQFFQSVOAODFQLZ-UHFFFAOYSA-N
MW377.20 g/mol
LogP2.53
Rot. Bonds4

About 5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide

5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide (PubChem CID 18139325) has the molecular formula C15H13BrN4O3 and a molecular weight of 377.20 g/mol. Its IUPAC name is 5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide
PubChem CID18139325
Molecular FormulaC15H13BrN4O3
Molecular Weight377.20 g/mol
Exact Mass376.02
IUPAC Name5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide
SMILESCCn1c(NNC(=O)c2ccc(Br)o2)nc2ccccc2c1=O
InChIInChI=1S/C15H13BrN4O3/c1-2-20-14(22)9-5-3-4-6-10(9)17-15(20)19-18-13(21)11-7-8-12(16)23-11/h3-8H,2H2,1H3,(H,17,19)(H,18,21)
InChIKeyQFFQSVOAODFQLZ-UHFFFAOYSA-N
XLogP2.53
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 52.53
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

N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide
CID 134001910
3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide
CID 55940700
N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,4-dimethylbenzohydrazide
CID 51251526
5-bromo-N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]furan-2-carboxamide
CID 52901502
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide
CID 46554469
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204
6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide
CID 46604334
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide
CID 18289419
5-ethyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-4-methylthiophene-2-carbohydrazide
CID 18139295
2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide
CID 18139335
(2R,3S)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbohydrazide
CID 26062346
4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 18139314

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide?
The IUPAC name of 5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide (CID 18139325) is 5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide.
What is the SMILES notation for 5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide?
The canonical SMILES for 5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide is CCn1c(NNC(=O)c2ccc(Br)o2)nc2ccccc2c1=O.
What is the InChIKey of 5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide?
The InChIKey is QFFQSVOAODFQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O3/c1-2-20-14(22)9-5-3-4-6-10(9)17-15(20)19-18-13(21)11-7-8-12(16)23-11/h3-8H,2H2,1H3,(H,17,19)(H,18,21).
What are the key properties of 5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide?
5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide has a molecular weight of 377.20 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide is sourced from PubChem (CID 18139325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).