3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide

C18H17BrN4O3 — CID 55940700

IUPAC3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide
SMILESCCn1c(NNC(=O)c2cc(C)cc(Br)c2O)nc2ccccc2c1=O
InChIInChI=1S/C18H17BrN4O3/c1-3-23-17(26)11-6-4-5-7-14(11)20-18(23)22-21-16(25)12-8-10(2)9-13(19)15(12)24/h4-9,24H,3H2,1-2H3,(H,20,22)(H,21,25)
InChIKeyZLZYZVHINYALKP-UHFFFAOYSA-N
MW417.26 g/mol
LogP2.95
Rot. Bonds4

About 3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide

3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide (PubChem CID 55940700) has the molecular formula C18H17BrN4O3 and a molecular weight of 417.26 g/mol. Its IUPAC name is 3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide
PubChem CID55940700
Molecular FormulaC18H17BrN4O3
Molecular Weight417.26 g/mol
Exact Mass416.05
IUPAC Name3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide
SMILESCCn1c(NNC(=O)c2cc(C)cc(Br)c2O)nc2ccccc2c1=O
InChIInChI=1S/C18H17BrN4O3/c1-3-23-17(26)11-6-4-5-7-14(11)20-18(23)22-21-16(25)12-8-10(2)9-13(19)15(12)24/h4-9,24H,3H2,1-2H3,(H,20,22)(H,21,25)
InChIKeyZLZYZVHINYALKP-UHFFFAOYSA-N
XLogP2.95
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 52.95
H-Bond Donors ≤ 53
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)-2-phenylquinoline-4-carbohydrazide
CID 24598204
N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,4-dimethylbenzohydrazide
CID 51251526
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide
CID 18289419
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-methylindole-3-carbohydrazide
CID 46554469
5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide
CID 18139325
N'-(3-ethyl-4-oxoquinazolin-2-yl)-6-methylpyridine-2-carbohydrazide
CID 134001910
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 24598219
2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide
CID 18139335
5-ethyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-4-methylthiophene-2-carbohydrazide
CID 18139295
6-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1H-indole-2-carbohydrazide
CID 46604334
4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 18139314
5-[[(3-ethyl-4-oxoquinazolin-2-yl)amino]carbamoyl]-N,2,3-trimethylbenzenesulfonamide
CID 24598230

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide?
The IUPAC name of 3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide (CID 55940700) is 3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide.
What is the SMILES notation for 3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide?
The canonical SMILES for 3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide is CCn1c(NNC(=O)c2cc(C)cc(Br)c2O)nc2ccccc2c1=O.
What is the InChIKey of 3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide?
The InChIKey is ZLZYZVHINYALKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4O3/c1-3-23-17(26)11-6-4-5-7-14(11)20-18(23)22-21-16(25)12-8-10(2)9-13(19)15(12)24/h4-9,24H,3H2,1-2H3,(H,20,22)(H,21,25).
What are the key properties of 3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide?
3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide has a molecular weight of 417.26 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-hydroxy-5-methylbenzohydrazide is sourced from PubChem (CID 55940700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).