3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one

C20H29NO2 — CID 70124013

IUPAC3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one
SMILESCCCCCC(CCc1c(C)c2ccccc2[nH]c1=O)OCC
InChIInChI=1S/C20H29NO2/c1-4-6-7-10-16(23-5-2)13-14-18-15(3)17-11-8-9-12-19(17)21-20(18)22/h8-9,11-12,16H,4-7,10,13-14H2,1-3H3,(H,21,22)
InChIKeyAVBVJJJNZRPOLW-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.75
Rot. Bonds9

About 3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one

3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one (PubChem CID 70124013) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is 3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one
PubChem CID70124013
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Name3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one
SMILESCCCCCC(CCc1c(C)c2ccccc2[nH]c1=O)OCC
InChIInChI=1S/C20H29NO2/c1-4-6-7-10-16(23-5-2)13-14-18-15(3)17-11-8-9-12-19(17)21-20(18)22/h8-9,11-12,16H,4-7,10,13-14H2,1-3H3,(H,21,22)
InChIKeyAVBVJJJNZRPOLW-UHFFFAOYSA-N
XLogP4.75
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082
4-methyl-3-pentyl-1H-quinolin-2-one
CID 46708124
3-(3-hydroxybutyl)-4-methyl-1H-quinolin-2-one
CID 3117151
9-ethoxyoctadecane
CID 87148376
butane;2,3-dimethyl-1H-indole
CID 143059445
2-methyl-3-propyl-1H-quinolin-4-one
CID 826058
N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54693782
2-amino-3-butyl-1H-quinolin-4-one
CID 46708036
undecan-5-yl 1H-indole-3-carboxylate
CID 151684250
2-tert-butyl-3-pentyl-1H-indole
CID 121472314
(4-hexoxy-2-oxo-1H-quinolin-3-yl) formate
CID 140979730
3-butyl-4-oxo-1H-quinoline-2-carbaldehyde
CID 174731856

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one?
The IUPAC name of 3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one (CID 70124013) is 3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one.
What is the SMILES notation for 3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one?
The canonical SMILES for 3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one is CCCCCC(CCc1c(C)c2ccccc2[nH]c1=O)OCC.
What is the InChIKey of 3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one?
The InChIKey is AVBVJJJNZRPOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-4-6-7-10-16(23-5-2)13-14-18-15(3)17-11-8-9-12-19(17)21-20(18)22/h8-9,11-12,16H,4-7,10,13-14H2,1-3H3,(H,21,22).
What are the key properties of 3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one?
3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one has a molecular weight of 315.46 g/mol, XLogP of 4.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyoctyl)-4-methyl-1H-quinolin-2-one is sourced from PubChem (CID 70124013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).