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

C18H18N6O2 — CID 24535853

IUPACN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide
SMILESO=C(CN1CCCc2ccccc21)NNC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C18H18N6O2/c25-17(11-24-9-3-5-12-4-1-2-6-16(12)24)21-22-18(26)13-7-8-14-15(10-13)20-23-19-14/h1-2,4,6-8,10H,3,5,9,11H2,(H,21,25)(H,22,26)(H,19,20,23)
InChIKeyUQVAVWHKLNLTEO-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.17
Rot. Bonds3

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

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide (PubChem CID 24535853) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide
PubChem CID24535853
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide
SMILESO=C(CN1CCCc2ccccc21)NNC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C18H18N6O2/c25-17(11-24-9-3-5-12-4-1-2-6-16(12)24)21-22-18(26)13-7-8-14-15(10-13)20-23-19-14/h1-2,4,6-8,10H,3,5,9,11H2,(H,21,25)(H,22,26)(H,19,20,23)
InChIKeyUQVAVWHKLNLTEO-UHFFFAOYSA-N
XLogP1.17
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.17
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

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
CID 2323657
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-1-ethylbenzotriazole-5-carbohydrazide
CID 26853821
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyridine-3-carbohydrazide
CID 51109543
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26853955
3-[[[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46663815
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 9076396
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
N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 27681005
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide
CID 154860717
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide
CID 26853974
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide
CID 27680928

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide?
The IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide (CID 24535853) is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide.
What is the SMILES notation for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide?
The canonical SMILES for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide is O=C(CN1CCCc2ccccc21)NNC(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide?
The InChIKey is UQVAVWHKLNLTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c25-17(11-24-9-3-5-12-4-1-2-6-16(12)24)21-22-18(26)13-7-8-14-15(10-13)20-23-19-14/h1-2,4,6-8,10H,3,5,9,11H2,(H,21,25)(H,22,26)(H,19,20,23).
What are the key properties of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide?
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide has a molecular weight of 350.38 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide is sourced from PubChem (CID 24535853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).