[(3-methylphenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate

C18H18N2O2 — CID 175185198

IUPAC[(3-methylphenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCc1cccc(C=NOC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C18H18N2O2/c1-14-6-4-7-15(12-14)13-19-22-18(21)20-11-5-9-16-8-2-3-10-17(16)20/h2-4,6-8,10,12-13H,5,9,11H2,1H3
InChIKeyZPARZPWPTVBJED-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.92
Rot. Bonds2

About [(3-methylphenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate

[(3-methylphenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 175185198) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is [(3-methylphenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Name[(3-methylphenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID175185198
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name[(3-methylphenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCc1cccc(C=NOC(=O)N2CCCc3ccccc32)c1
InChIInChI=1S/C18H18N2O2/c1-14-6-4-7-15(12-14)13-19-22-18(21)20-11-5-9-16-8-2-3-10-17(16)20/h2-4,6-8,10,12-13H,5,9,11H2,1H3
InChIKeyZPARZPWPTVBJED-UHFFFAOYSA-N
XLogP3.92
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-nitrophenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate
CID 175183794
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 112996355
ethyl 3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxylate
CID 10376695
3,4-dihydro-2H-quinolin-1-yl-[1-(3-methylbenzoyl)piperidin-4-yl]methanone
CID 113006321
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(3,5-dimethylphenyl)guanidine
CID 111079025
N-(2-bromo-4-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505760
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] (E)-3-(3-bromophenyl)prop-2-enoate
CID 7808503
1-(2,3-dihydroindol-1-yl)-2-[(E)-(3-nitrophenyl)methylideneamino]oxyethanone
CID 6902967
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245

Frequently Asked Questions

What is the IUPAC name of [(3-methylphenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of [(3-methylphenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate (CID 175185198) is [(3-methylphenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for [(3-methylphenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for [(3-methylphenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate is Cc1cccc(C=NOC(=O)N2CCCc3ccccc32)c1.
What is the InChIKey of [(3-methylphenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is ZPARZPWPTVBJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-14-6-4-7-15(12-14)13-19-22-18(21)20-11-5-9-16-8-2-3-10-17(16)20/h2-4,6-8,10,12-13H,5,9,11H2,1H3.
What are the key properties of [(3-methylphenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate?
[(3-methylphenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methylphenyl)methylideneamino] 3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 175185198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).