2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide

C18H19N5O3 — CID 18139335

IUPAC2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide
SMILESCCOc1ncccc1C(=O)NNc1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C18H19N5O3/c1-3-23-17(25)12-8-5-6-10-14(12)20-18(23)22-21-15(24)13-9-7-11-19-16(13)26-4-2/h5-11H,3-4H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyPNFMOJNHQCFTCV-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.97
Rot. Bonds6

About 2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide

2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide (PubChem CID 18139335) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide.

Molecular Properties

Compound Name2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide
PubChem CID18139335
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide
SMILESCCOc1ncccc1C(=O)NNc1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C18H19N5O3/c1-3-23-17(25)12-8-5-6-10-14(12)20-18(23)22-21-15(24)13-9-7-11-19-16(13)26-4-2/h5-11H,3-4H2,1-2H3,(H,20,22)(H,21,24)
InChIKeyPNFMOJNHQCFTCV-UHFFFAOYSA-N
XLogP1.97
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-1-methylindole-3-carbohydrazide
CID 46554469
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-phenylquinoline-4-carbohydrazide
CID 24598204
N'-(3-ethyl-4-oxoquinazolin-2-yl)-2-oxo-1H-quinoline-4-carbohydrazide
CID 18289419
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
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
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-pyridin-3-ylpyrazole-4-carbohydrazide
CID 24598227
5-bromo-N'-(3-ethyl-4-oxoquinazolin-2-yl)furan-2-carbohydrazide
CID 18139325
N'-(2-ethoxypyridine-3-carbonyl)-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 27563774
4-acetyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 18139314
N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carbohydrazide
CID 24598222

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide?
The IUPAC name of 2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide (CID 18139335) is 2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide.
What is the SMILES notation for 2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide?
The canonical SMILES for 2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide is CCOc1ncccc1C(=O)NNc1nc2ccccc2c(=O)n1CC.
What is the InChIKey of 2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide?
The InChIKey is PNFMOJNHQCFTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-3-23-17(25)12-8-5-6-10-14(12)20-18(23)22-21-15(24)13-9-7-11-19-16(13)26-4-2/h5-11H,3-4H2,1-2H3,(H,20,22)(H,21,24).
What are the key properties of 2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide?
2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide has a molecular weight of 353.38 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N'-(3-ethyl-4-oxoquinazolin-2-yl)pyridine-3-carbohydrazide is sourced from PubChem (CID 18139335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).