(3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one

C19H18N2O — CID 113217969

IUPAC(3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one
SMILESCN1C(=O)/C(=C/N2CCCc3ccccc32)c2ccccc21
InChIInChI=1S/C19H18N2O/c1-20-18-11-5-3-9-15(18)16(19(20)22)13-21-12-6-8-14-7-2-4-10-17(14)21/h2-5,7,9-11,13H,6,8,12H2,1H3/b16-13+
InChIKeyNLJHPQFXQSMVIR-DTQAZKPQSA-N
MW290.37 g/mol
LogP3.46
Rot. Bonds1

About (3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one

(3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one (PubChem CID 113217969) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one.

Molecular Properties

Compound Name(3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one
PubChem CID113217969
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one
SMILESCN1C(=O)/C(=C/N2CCCc3ccccc32)c2ccccc21
InChIInChI=1S/C19H18N2O/c1-20-18-11-5-3-9-15(18)16(19(20)22)13-21-12-6-8-14-7-2-4-10-17(14)21/h2-5,7,9-11,13H,6,8,12H2,1H3/b16-13+
InChIKeyNLJHPQFXQSMVIR-DTQAZKPQSA-N
XLogP3.46
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-1-methyl-3-[(4-methylpiperazin-1-yl)methylidene]indol-2-one
CID 113217895
3-ethylidene-1-methylindol-2-one
CID 85157103
5-methyl-11,12-dihydrobenzo[c][1]benzazocin-6-one
CID 13447635
(3Z)-3-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methylidene]-1-methylindol-2-one
CID 113217951
8-methyl-8-azatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-9-one
CID 46930002
(3E)-1-methyl-3-propylideneindol-2-one
CID 58101344
5-methyl-11,12-dihydro-10H-benzo[b][1]benzazocine
CID 58892341
2-(1-methyl-2-oxoindol-3-ylidene)acetyl chloride
CID 164576931
(2E,5E)-2,5-bis(2,3-dihydroindol-1-ylmethylidene)cyclopentan-1-one
CID 59550191
3-[(4-fluorophenyl)methylidene]-1-methylindol-2-one
CID 964242
(3E)-3-[(2-hydroxyphenyl)methylidene]-1-methylindol-2-one
CID 139193133
methane;1-methyl-3,4-dihydro-2H-quinoline
CID 158932753

Frequently Asked Questions

What is the IUPAC name of (3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one?
The IUPAC name of (3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one (CID 113217969) is (3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one.
What is the SMILES notation for (3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one?
The canonical SMILES for (3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one is CN1C(=O)/C(=C/N2CCCc3ccccc32)c2ccccc21.
What is the InChIKey of (3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one?
The InChIKey is NLJHPQFXQSMVIR-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H18N2O/c1-20-18-11-5-3-9-15(18)16(19(20)22)13-21-12-6-8-14-7-2-4-10-17(14)21/h2-5,7,9-11,13H,6,8,12H2,1H3/b16-13+.
What are the key properties of (3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one?
(3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one has a molecular weight of 290.37 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(3,4-dihydro-2H-quinolin-1-ylmethylidene)-1-methylindol-2-one is sourced from PubChem (CID 113217969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).