N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide

C20H22N6O2 — CID 26853821

IUPACN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide
SMILESCCn1nnc2cc(C(=O)NNC(=O)CN3CCCc4ccccc43)ccc21
InChIInChI=1S/C20H22N6O2/c1-2-26-18-10-9-15(12-16(18)21-24-26)20(28)23-22-19(27)13-25-11-5-7-14-6-3-4-8-17(14)25/h3-4,6,8-10,12H,2,5,7,11,13H2,1H3,(H,22,27)(H,23,28)
InChIKeyYEQWBODFQGBPSN-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.66
Rot. Bonds4

About N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide (PubChem CID 26853821) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide
PubChem CID26853821
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide
SMILESCCn1nnc2cc(C(=O)NNC(=O)CN3CCCc4ccccc43)ccc21
InChIInChI=1S/C20H22N6O2/c1-2-26-18-10-9-15(12-16(18)21-24-26)20(28)23-22-19(27)13-25-11-5-7-14-6-3-4-8-17(14)25/h3-4,6,8-10,12H,2,5,7,11,13H2,1H3,(H,22,27)(H,23,28)
InChIKeyYEQWBODFQGBPSN-UHFFFAOYSA-N
XLogP1.66
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.66
H-Bond Donors ≤ 52
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-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide
CID 24535853
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26853955
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
CID 2323657
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyridine-3-carbohydrazide
CID 51109543
3,4-dihydro-2H-quinolin-1-yl-(1-propylbenzotriazol-5-yl)methanone
CID 53051732
N-[3-[2-(2,3-dihydroindol-1-yl)ethylcarbamoyl]phenyl]sulfonyl-1-ethylbenzotriazole-5-carboxamide
CID 167785550
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
3-tert-butyl-N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-methylpyrazole-5-carbohydrazide
CID 78894028
N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide
CID 8593415
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2-phenylacetohydrazide
CID 7923496
1-[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-3-methylthiourea
CID 8659375
N'-[2-(4-chlorophenyl)sulfanylacetyl]-1-ethylbenzotriazole-5-carbohydrazide
CID 26854171

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide?
The IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide (CID 26853821) is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide is CCn1nnc2cc(C(=O)NNC(=O)CN3CCCc4ccccc43)ccc21.
What is the InChIKey of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide?
The InChIKey is YEQWBODFQGBPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-2-26-18-10-9-15(12-16(18)21-24-26)20(28)23-22-19(27)13-25-11-5-7-14-6-3-4-8-17(14)25/h3-4,6,8-10,12H,2,5,7,11,13H2,1H3,(H,22,27)(H,23,28).
What are the key properties of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide?
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide has a molecular weight of 378.44 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide is sourced from PubChem (CID 26853821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).