methyl (2Z)-2-phenyl-2-[(8-prop-2-enyl-3,4-dihydro-2H-quinolin-1-yl)imino]acetate

C21H22N2O2 — CID 10088254

IUPACmethyl (2Z)-2-phenyl-2-[(8-prop-2-enyl-3,4-dihydro-2H-quinolin-1-yl)imino]acetate
SMILESC=CCc1cccc2c1N(/N=C(\C(=O)OC)c1ccccc1)CCC2
InChIInChI=1S/C21H22N2O2/c1-3-9-17-12-7-13-18-14-8-15-23(20(17)18)22-19(21(24)25-2)16-10-5-4-6-11-16/h3-7,10-13H,1,8-9,14-15H2,2H3/b22-19-
InChIKeyABCRZOQSMIAMNQ-QOCHGBHMSA-N
MW334.42 g/mol
LogP3.74
Rot. Bonds5

About methyl (2Z)-2-phenyl-2-[(8-prop-2-enyl-3,4-dihydro-2H-quinolin-1-yl)imino]acetate

methyl (2Z)-2-phenyl-2-[(8-prop-2-enyl-3,4-dihydro-2H-quinolin-1-yl)imino]acetate (PubChem CID 10088254) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl (2Z)-2-phenyl-2-[(8-prop-2-enyl-3,4-dihydro-2H-quinolin-1-yl)imino]acetate.

Molecular Properties

Compound Namemethyl (2Z)-2-phenyl-2-[(8-prop-2-enyl-3,4-dihydro-2H-quinolin-1-yl)imino]acetate
PubChem CID10088254
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Namemethyl (2Z)-2-phenyl-2-[(8-prop-2-enyl-3,4-dihydro-2H-quinolin-1-yl)imino]acetate
SMILESC=CCc1cccc2c1N(/N=C(\C(=O)OC)c1ccccc1)CCC2
InChIInChI=1S/C21H22N2O2/c1-3-9-17-12-7-13-18-14-8-15-23(20(17)18)22-19(21(24)25-2)16-10-5-4-6-11-16/h3-7,10-13H,1,8-9,14-15H2,2H3/b22-19-
InChIKeyABCRZOQSMIAMNQ-QOCHGBHMSA-N
XLogP3.74
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-phenylmethanone
CID 15267724
dimethyl 2-ethenyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-3,3-dicarboxylate
CID 164680676
methyl (2E)-2-phenylpenta-2,4-dienoate
CID 102389363
methyl 2-phenylpenta-2,4-dienoate
CID 73023142
methyl (2E)-2-(3-methylpentan-3-yloxyimino)-2-phenylacetate;methyl (2Z)-2-(3-methylpentan-3-yloxyimino)-2-phenylacetate
CID 159710722
2-prop-2-enylbenzoic acid
CID 2752991
acetic acid;2-methoxy-3-prop-2-enylphenol
CID 174703857
methyl 2-(4-methoxyphenyl)imino-2-phenylacetate
CID 11659050
(2-benzoyl-3-prop-2-enylphenyl) tert-butyl carbonate
CID 126660621
methyl 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetate
CID 63152884
methyl 2-chloro-3-prop-2-enylbenzoate
CID 174461758
methyl (2E)-2-methoxyimino-2-[2-(piperidin-1-ylmethyl)phenyl]acetate
CID 10891589

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-phenyl-2-[(8-prop-2-enyl-3,4-dihydro-2H-quinolin-1-yl)imino]acetate?
The IUPAC name of methyl (2Z)-2-phenyl-2-[(8-prop-2-enyl-3,4-dihydro-2H-quinolin-1-yl)imino]acetate (CID 10088254) is methyl (2Z)-2-phenyl-2-[(8-prop-2-enyl-3,4-dihydro-2H-quinolin-1-yl)imino]acetate.
What is the SMILES notation for methyl (2Z)-2-phenyl-2-[(8-prop-2-enyl-3,4-dihydro-2H-quinolin-1-yl)imino]acetate?
The canonical SMILES for methyl (2Z)-2-phenyl-2-[(8-prop-2-enyl-3,4-dihydro-2H-quinolin-1-yl)imino]acetate is C=CCc1cccc2c1N(/N=C(\C(=O)OC)c1ccccc1)CCC2.
What is the InChIKey of methyl (2Z)-2-phenyl-2-[(8-prop-2-enyl-3,4-dihydro-2H-quinolin-1-yl)imino]acetate?
The InChIKey is ABCRZOQSMIAMNQ-QOCHGBHMSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-3-9-17-12-7-13-18-14-8-15-23(20(17)18)22-19(21(24)25-2)16-10-5-4-6-11-16/h3-7,10-13H,1,8-9,14-15H2,2H3/b22-19-.
What are the key properties of methyl (2Z)-2-phenyl-2-[(8-prop-2-enyl-3,4-dihydro-2H-quinolin-1-yl)imino]acetate?
methyl (2Z)-2-phenyl-2-[(8-prop-2-enyl-3,4-dihydro-2H-quinolin-1-yl)imino]acetate has a molecular weight of 334.42 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-phenyl-2-[(8-prop-2-enyl-3,4-dihydro-2H-quinolin-1-yl)imino]acetate is sourced from PubChem (CID 10088254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).