(1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one

C19H21N3O2 — CID 6878171

IUPAC(1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
SMILESCOc1ccc(N/N=C(/C(C)=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H21N3O2/c1-14(23)19(21-20-16-9-11-17(24-2)12-10-16)22-13-5-7-15-6-3-4-8-18(15)22/h3-4,6,8-12,20H,5,7,13H2,1-2H3/b21-19-
InChIKeyIIAOZJATFGPBRG-VZCXRCSSSA-N
MW323.40 g/mol
LogP3.46
Rot. Bonds4

About (1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one

(1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one (PubChem CID 6878171) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one.

Molecular Properties

Compound Name(1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
PubChem CID6878171
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
SMILESCOc1ccc(N/N=C(/C(C)=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C19H21N3O2/c1-14(23)19(21-20-16-9-11-17(24-2)12-10-16)22-13-5-7-15-6-3-4-8-18(15)22/h3-4,6,8-12,20H,5,7,13H2,1-2H3/b21-19-
InChIKeyIIAOZJATFGPBRG-VZCXRCSSSA-N
XLogP3.46
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one with MolForge

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Related Compounds

4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 109150620
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108505550
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109057134
2-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 108502677
(2S)-2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 9249756
ethyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]-2-(3,4-dihydro-2H-quinolin-1-yl)acetate
CID 6506652
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 111183033
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
1-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 111183036
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)butanamide
CID 16576209

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one?
The IUPAC name of (1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one (CID 6878171) is (1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one.
What is the SMILES notation for (1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one?
The canonical SMILES for (1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one is COc1ccc(N/N=C(/C(C)=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of (1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one?
The InChIKey is IIAOZJATFGPBRG-VZCXRCSSSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14(23)19(21-20-16-9-11-17(24-2)12-10-16)22-13-5-7-15-6-3-4-8-18(15)22/h3-4,6,8-12,20H,5,7,13H2,1-2H3/b21-19-.
What are the key properties of (1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one?
(1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one has a molecular weight of 323.40 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one is sourced from PubChem (CID 6878171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).