N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide

C22H26N4O4 — CID 9159803

IUPACN-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C22H26N4O4/c1-2-30-19-12-6-4-10-17(19)22(29)23-14-20(27)24-25-21(28)15-26-13-7-9-16-8-3-5-11-18(16)26/h3-6,8,10-12H,2,7,9,13-15H2,1H3,(H,23,29)(H,24,27)(H,25,28)
InChIKeyXMHTVTGFMJHZQH-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.42
Rot. Bonds7

About N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide

N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide (PubChem CID 9159803) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
PubChem CID9159803
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCC(=O)NNC(=O)CN1CCCc2ccccc21
InChIInChI=1S/C22H26N4O4/c1-2-30-19-12-6-4-10-17(19)22(29)23-14-20(27)24-25-21(28)15-26-13-7-9-16-8-3-5-11-18(16)26/h3-6,8,10-12H,2,7,9,13-15H2,1H3,(H,23,29)(H,24,27)(H,25,28)
InChIKeyXMHTVTGFMJHZQH-UHFFFAOYSA-N
XLogP1.42
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 7923476
N-[2-[2-(2,3-dihydroindol-1-ylsulfonyl)ethylamino]-2-oxoethyl]-2-ethoxybenzamide
CID 55662640
N-(2,5-diethoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24564859
N-[2-(2-benzoylhydrazinyl)-2-oxoethyl]-2-ethoxybenzamide
CID 7601514
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide
CID 26853974
N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24636689
N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 27681005
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 4790915
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26853955
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
CID 2323657

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide (CID 9159803) is N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCC(=O)NNC(=O)CN1CCCc2ccccc21.
What is the InChIKey of N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide?
The InChIKey is XMHTVTGFMJHZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-2-30-19-12-6-4-10-17(19)22(29)23-14-20(27)24-25-21(28)15-26-13-7-9-16-8-3-5-11-18(16)26/h3-6,8,10-12H,2,7,9,13-15H2,1H3,(H,23,29)(H,24,27)(H,25,28).
What are the key properties of N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide?
N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide has a molecular weight of 410.47 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-2-ethoxybenzamide is sourced from PubChem (CID 9159803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).