2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide

C22H24N4O4 — CID 9272269

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide
SMILESO=C(CN1CCCc2ccccc21)NNC(=O)CN1C(=O)CCOc2ccccc21
InChIInChI=1S/C22H24N4O4/c27-20(14-25-12-5-7-16-6-1-2-8-17(16)25)23-24-21(28)15-26-18-9-3-4-10-19(18)30-13-11-22(26)29/h1-4,6,8-10H,5,7,11-15H2,(H,23,27)(H,24,28)
InChIKeyJNKBRXYCEGCZKT-UHFFFAOYSA-N
MW408.46 g/mol
LogP1.40
Rot. Bonds4

About 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide

2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide (PubChem CID 9272269) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide
PubChem CID9272269
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide
SMILESO=C(CN1CCCc2ccccc21)NNC(=O)CN1C(=O)CCOc2ccccc21
InChIInChI=1S/C22H24N4O4/c27-20(14-25-12-5-7-16-6-1-2-8-17(16)25)23-24-21(28)15-26-18-9-3-4-10-19(18)30-13-11-22(26)29/h1-4,6,8-10H,5,7,11-15H2,(H,23,27)(H,24,28)
InChIKeyJNKBRXYCEGCZKT-UHFFFAOYSA-N
XLogP1.40
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-propan-2-ylacetamide
CID 18107960
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-methylthiourea
CID 8659375
N-(2-chlorophenyl)-2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetamide
CID 9032039
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 18166181
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 24564858
5-(2-morpholin-4-yl-2-oxoethyl)-2,3-dihydro-1,5-benzoxazepin-4-one
CID 18105390
1-[(2S)-1-methoxypropan-2-yl]-3-[[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]amino]thiourea
CID 9367595
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
CID 2323657
N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 27681005

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide (CID 9272269) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide is O=C(CN1CCCc2ccccc21)NNC(=O)CN1C(=O)CCOc2ccccc21.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide?
The InChIKey is JNKBRXYCEGCZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c27-20(14-25-12-5-7-16-6-1-2-8-17(16)25)23-24-21(28)15-26-18-9-3-4-10-19(18)30-13-11-22(26)29/h1-4,6,8-10H,5,7,11-15H2,(H,23,27)(H,24,28).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide has a molecular weight of 408.46 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetyl]acetohydrazide is sourced from PubChem (CID 9272269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).