4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide

C23H25N3O6 — CID 55602361

IUPAC4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc3c2=O)cc(OCC)c1OCC
InChIInChI=1S/C23H25N3O6/c1-4-30-18-11-14(12-19(31-5-2)21(18)32-6-3)22(28)25-26-23(29)16-13-24-17-10-8-7-9-15(17)20(16)27/h7-13H,4-6H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyNWUQBOFVXCPEGN-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.80
Rot. Bonds8

About 4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide

4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide (PubChem CID 55602361) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is 4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide.

Molecular Properties

Compound Name4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide
PubChem CID55602361
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC Name4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide
SMILESCCOc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc3c2=O)cc(OCC)c1OCC
InChIInChI=1S/C23H25N3O6/c1-4-30-18-11-14(12-19(31-5-2)21(18)32-6-3)22(28)25-26-23(29)16-13-24-17-10-8-7-9-15(17)20(16)27/h7-13H,4-6H2,1-3H3,(H,24,27)(H,25,28)(H,26,29)
InChIKeyNWUQBOFVXCPEGN-UHFFFAOYSA-N
XLogP2.80
TPSA118.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.80
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-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55786955
N'-(2-methoxybenzoyl)-4-oxo-1H-quinoline-3-carbohydrazide
CID 39848788
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784
3,4,5-triethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645186
N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105
N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide
CID 78800173
N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide
CID 30455658
N'-(3-chloro-4,5-dimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455952
2-oxo-N'-(3,4,5-triethoxybenzoyl)chromene-3-carbohydrazide
CID 34250417
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774
[4-(2-ethoxyphenyl)-3-[(4-oxo-1H-quinoline-3-carbonyl)amino]phenyl]methylcarbamic acid
CID 66676219
3-bromo-4-ethoxy-N'-[2-(1H-indol-3-yl)acetyl]-5-methoxybenzohydrazide
CID 39972648

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide?
The IUPAC name of 4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide (CID 55602361) is 4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide.
What is the SMILES notation for 4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide?
The canonical SMILES for 4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide is CCOc1cc(C(=O)NNC(=O)c2c[nH]c3ccccc3c2=O)cc(OCC)c1OCC.
What is the InChIKey of 4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide?
The InChIKey is NWUQBOFVXCPEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-4-30-18-11-14(12-19(31-5-2)21(18)32-6-3)22(28)25-26-23(29)16-13-24-17-10-8-7-9-15(17)20(16)27/h7-13H,4-6H2,1-3H3,(H,24,27)(H,25,28)(H,26,29).
What are the key properties of 4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide?
4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide has a molecular weight of 439.47 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide is sourced from PubChem (CID 55602361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).