1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline

C18H21NO — CID 133059523

IUPAC1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline
SMILESCCOc1cccc2c1CCCN2Cc1ccccc1
InChIInChI=1S/C18H21NO/c1-2-20-18-12-6-11-17-16(18)10-7-13-19(17)14-15-8-4-3-5-9-15/h3-6,8-9,11-12H,2,7,10,13-14H2,1H3
InChIKeyGFXWMDBDSRQUQZ-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.04
Rot. Bonds4

About 1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline

1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline (PubChem CID 133059523) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline
PubChem CID133059523
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline
SMILESCCOc1cccc2c1CCCN2Cc1ccccc1
InChIInChI=1S/C18H21NO/c1-2-20-18-12-6-11-17-16(18)10-7-13-19(17)14-15-8-4-3-5-9-15/h3-6,8-9,11-12H,2,7,10,13-14H2,1H3
InChIKeyGFXWMDBDSRQUQZ-UHFFFAOYSA-N
XLogP4.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-1-ethyl-2,3-dihydroindole
CID 59678208
2-(4-ethoxy-2,3-dihydroindol-1-yl)acetic acid
CID 121202435
4-[2-[3,5-dichloro-2-[(4-ethoxy-2,3-dihydroindol-1-yl)methyl]-6-oxo-1-pyridinyl]ethyl]benzoic acid
CID 58215917
ethyl 3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-5-yl)methoxy]-2-fluorophenyl]propanoate
CID 59368702
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-N-(3-ethoxyphenyl)benzamide
CID 46763220
2-[[1-[(3-fluoro-4-hydroxyphenyl)methyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetamide
CID 167933188
3-[4-[(1-benzyl-3,4-dihydro-2H-quinolin-5-yl)methoxy]-2-fluorophenyl]propanal
CID 89062888
1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 25376330
2-[[1-[2-(1,1-diphenylethylsulfinyl)ethyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid
CID 22449006
2-[[1-(2-benzhydrylsulfanylethyl)-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid
CID 22449032
2-[[1-[4-(N-phenylanilino)butyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid;2-[[1-[3-(N-phenylanilino)propyl]-3,4-dihydro-2H-quinolin-5-yl]oxy]acetic acid
CID 159286198
4-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-N-(2-ethoxyphenyl)benzamide
CID 50754372

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline (CID 133059523) is 1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline is CCOc1cccc2c1CCCN2Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline?
The InChIKey is GFXWMDBDSRQUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-20-18-12-6-11-17-16(18)10-7-13-19(17)14-15-8-4-3-5-9-15/h3-6,8-9,11-12H,2,7,10,13-14H2,1H3.
What are the key properties of 1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline?
1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline has a molecular weight of 267.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethoxy-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 133059523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).