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

C22H21N3O2 — CID 26853974

IUPACN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide
SMILESO=C(CN1CCCc2ccccc21)NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H21N3O2/c26-21(15-25-14-6-10-17-8-2-4-13-20(17)25)23-24-22(27)19-12-5-9-16-7-1-3-11-18(16)19/h1-5,7-9,11-13H,6,10,14-15H2,(H,23,26)(H,24,27)
InChIKeyCGQJKHVCTJCUBF-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.05
Rot. Bonds3

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

N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide (PubChem CID 26853974) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide
PubChem CID26853974
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide
SMILESO=C(CN1CCCc2ccccc21)NNC(=O)c1cccc2ccccc12
InChIInChI=1S/C22H21N3O2/c26-21(15-25-14-6-10-17-8-2-4-13-20(17)25)23-24-22(27)19-12-5-9-16-7-1-3-11-18(16)19/h1-5,7-9,11-13H,6,10,14-15H2,(H,23,26)(H,24,27)
InChIKeyCGQJKHVCTJCUBF-UHFFFAOYSA-N
XLogP3.05
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-fluorobenzohydrazide
CID 2323657
2-chloro-N-[2-[2-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hydrazinyl]-2-oxoethyl]benzamide
CID 7923476
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-oxo-3H-phthalazine-1-carbohydrazide
CID 9076396
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-4-ethylbenzohydrazide
CID 26853955
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'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyrazine-2-carbohydrazide
CID 27680928
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]hexanehydrazide
CID 38707921
2-bromo-N'-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]benzohydrazide
CID 8593408
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]-2H-benzotriazole-5-carbohydrazide
CID 24535853

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide?
The IUPAC name of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide (CID 26853974) is N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide.
What is the SMILES notation for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide?
The canonical SMILES for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide is O=C(CN1CCCc2ccccc21)NNC(=O)c1cccc2ccccc12.
What is the InChIKey of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide?
The InChIKey is CGQJKHVCTJCUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-21(15-25-14-6-10-17-8-2-4-13-20(17)25)23-24-22(27)19-12-5-9-16-7-1-3-11-18(16)19/h1-5,7-9,11-13H,6,10,14-15H2,(H,23,26)(H,24,27).
What are the key properties of N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide?
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide has a molecular weight of 359.43 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]naphthalene-1-carbohydrazide is sourced from PubChem (CID 26853974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).