2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone

C18H18N2O2 — CID 135569930

IUPAC2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)C/N=C2\CCc3ccccc3N2)cc1
InChIInChI=1S/C18H18N2O2/c1-22-15-9-6-14(7-10-15)17(21)12-19-18-11-8-13-4-2-3-5-16(13)20-18/h2-7,9-10H,8,11-12H2,1H3,(H,19,20)
InChIKeyGTJNBPJJRXMQDE-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.33
Rot. Bonds4

About 2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone

2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone (PubChem CID 135569930) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone
PubChem CID135569930
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)C/N=C2\CCc3ccccc3N2)cc1
InChIInChI=1S/C18H18N2O2/c1-22-15-9-6-14(7-10-15)17(21)12-19-18-11-8-13-4-2-3-5-16(13)20-18/h2-7,9-10H,8,11-12H2,1H3,(H,19,20)
InChIKeyGTJNBPJJRXMQDE-UHFFFAOYSA-N
XLogP3.33
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-quinolin-2-imine
CID 174927015
(4-methoxyphenyl)-(2-sulfanylidene-1,4-dihydroquinazolin-3-yl)methanone
CID 678601
N-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydro-1H-quinolin-2-imine
CID 135401643
3-(1,3,4,5-tetrahydro-1-benzazepin-2-ylideneamino)propanoic acid
CID 135406169
1-(6-methoxynaphthalen-2-yl)-3-phenylpropane-1,3-dione
CID 102495157
2-[2-(4-methoxyphenyl)-2-oxoethyl]-2-methylindene-1,3-dione
CID 640533
1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone
CID 21357126
1'-(4-methoxybenzoyl)spiro[1,4-dihydroquinoline-3,2'-piperidine]-2-one
CID 134792412
6-[4-[3-(4-methoxyphenyl)-3-oxopropyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one;hydrate;hydrochloride
CID 13369823
6,11-dihydro-5H-benzo[b][1]benzazepine-2-carboxamide
CID 91028665
methyl (2Z)-2-(3,4-dihydro-1H-quinolin-2-ylidene)acetate
CID 11063517
1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
CID 14529191

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone (CID 135569930) is 2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)C/N=C2\CCc3ccccc3N2)cc1.
What is the InChIKey of 2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone?
The InChIKey is GTJNBPJJRXMQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-22-15-9-6-14(7-10-15)17(21)12-19-18-11-8-13-4-2-3-5-16(13)20-18/h2-7,9-10H,8,11-12H2,1H3,(H,19,20).
What are the key properties of 2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone?
2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone has a molecular weight of 294.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-quinolin-2-ylideneamino)-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 135569930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).