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

C21H23N7O3 — CID 8969759

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide
SMILESO=C(CN1CCCc2ccccc21)NNC(=O)Cn1nnc(COc2ccccc2)n1
InChIInChI=1S/C21H23N7O3/c29-20(13-27-12-6-8-16-7-4-5-11-18(16)27)23-24-21(30)14-28-25-19(22-26-28)15-31-17-9-2-1-3-10-17/h1-5,7,9-11H,6,8,12-15H2,(H,23,29)(H,24,30)
InChIKeyQERSEDYKAURLPO-UHFFFAOYSA-N
MW421.46 g/mol
LogP0.85
Rot. Bonds7

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

2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide (PubChem CID 8969759) has the molecular formula C21H23N7O3 and a molecular weight of 421.46 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide
PubChem CID8969759
Molecular FormulaC21H23N7O3
Molecular Weight421.46 g/mol
Exact Mass421.19
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide
SMILESO=C(CN1CCCc2ccccc21)NNC(=O)Cn1nnc(COc2ccccc2)n1
InChIInChI=1S/C21H23N7O3/c29-20(13-27-12-6-8-16-7-4-5-11-18(16)27)23-24-21(30)14-28-25-19(22-26-28)15-31-17-9-2-1-3-10-17/h1-5,7,9-11H,6,8,12-15H2,(H,23,29)(H,24,30)
InChIKeyQERSEDYKAURLPO-UHFFFAOYSA-N
XLogP0.85
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-(2-phenylphenoxy)acetyl]acetohydrazide
CID 4790915
4-fluoro-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]benzohydrazide
CID 8870849
N-benzyl-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9071036
N-[cyclopropyl(phenyl)methyl]-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 51296072
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide
CID 27680928
2-[5-(phenoxymethyl)tetrazol-2-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 8868304
N-(4-fluorophenyl)-2-[5-(phenoxymethyl)tetrazol-2-yl]acetamide
CID 9070433
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyridine-3-carbohydrazide
CID 51109543
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-methylthiourea
CID 8659375
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
N-(benzylideneamino)-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 4092454

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide (CID 8969759) is 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide is O=C(CN1CCCc2ccccc21)NNC(=O)Cn1nnc(COc2ccccc2)n1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide?
The InChIKey is QERSEDYKAURLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O3/c29-20(13-27-12-6-8-16-7-4-5-11-18(16)27)23-24-21(30)14-28-25-19(22-26-28)15-31-17-9-2-1-3-10-17/h1-5,7,9-11H,6,8,12-15H2,(H,23,29)(H,24,30).
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide?
2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide has a molecular weight of 421.46 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-N'-[2-[5-(phenoxymethyl)tetrazol-2-yl]acetyl]acetohydrazide is sourced from PubChem (CID 8969759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).