7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one

C21H22N2O3 — CID 50958678

IUPAC7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOCCOc1ccc2c(c1)NC(=O)CC2c1[nH]c2ccccc2c1C
InChIInChI=1S/C21H22N2O3/c1-13-15-5-3-4-6-18(15)23-21(13)17-12-20(24)22-19-11-14(7-8-16(17)19)26-10-9-25-2/h3-8,11,17,23H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyWSFKDWLOZLTGSH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.98
Rot. Bonds5

About 7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one

7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 50958678) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID50958678
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC Name7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOCCOc1ccc2c(c1)NC(=O)CC2c1[nH]c2ccccc2c1C
InChIInChI=1S/C21H22N2O3/c1-13-15-5-3-4-6-18(15)23-21(13)17-12-20(24)22-19-11-14(7-8-16(17)19)26-10-9-25-2/h3-8,11,17,23H,9-10,12H2,1-2H3,(H,22,24)
InChIKeyWSFKDWLOZLTGSH-UHFFFAOYSA-N
XLogP3.98
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-(5-chlorothiophen-2-yl)-7-(2-methoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 95136942
(4R)-7-(2-methoxyethoxy)-4-(3-pyrazol-1-ylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95127170
7-(2-phenoxyethoxy)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 169417340
4-(1,3-benzodioxol-4-yl)-7-(2-ethoxyethoxy)-3,4-dihydro-1H-quinolin-2-one
CID 50953624
2-(7-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl)-1H-quinolin-4-one
CID 170512672
4,11-bis(2-methoxyethoxy)tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-15,16-dione
CID 102495295
6-[3-(dimethylamino)propoxy]-4-phenyl-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 131710541
methyl 5-[(4R)-7-ethoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]-2-hydroxybenzoate
CID 95127709
2-[[3-[2-(1-hydroxycyclopropyl)ethoxy]phenoxy]methyl]-3-methyl-1H-quinolin-4-one
CID 59527602
3,4-bis(2-methoxyethoxy)-1H-quinolin-2-one
CID 141273048
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
7-(4-chlorobutoxy)-4-methyl-3,4-dihydro-1H-quinolin-2-one;tribromoborane
CID 157286478

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one (CID 50958678) is 7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one is COCCOc1ccc2c(c1)NC(=O)CC2c1[nH]c2ccccc2c1C.
What is the InChIKey of 7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WSFKDWLOZLTGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-13-15-5-3-4-6-18(15)23-21(13)17-12-20(24)22-19-11-14(7-8-16(17)19)26-10-9-25-2/h3-8,11,17,23H,9-10,12H2,1-2H3,(H,22,24).
What are the key properties of 7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one?
7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 350.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyethoxy)-4-(3-methyl-1H-indol-2-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 50958678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).