6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one

C18H21N3O3 — CID 56718220

IUPAC6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CN(C)C(C)c3ccon3)cc2c1
InChIInChI=1S/C18H21N3O3/c1-4-23-15-5-6-17-13(10-15)9-14(18(22)19-17)11-21(3)12(2)16-7-8-24-20-16/h5-10,12H,4,11H2,1-3H3,(H,19,22)
InChIKeyUADIWXGRADZPHL-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.11
Rot. Bonds6

About 6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one

6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 56718220) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one
PubChem CID56718220
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CN(C)C(C)c3ccon3)cc2c1
InChIInChI=1S/C18H21N3O3/c1-4-23-15-5-6-17-13(10-15)9-14(18(22)19-17)11-21(3)12(2)16-7-8-24-20-16/h5-10,12H,4,11H2,1-3H3,(H,19,22)
InChIKeyUADIWXGRADZPHL-UHFFFAOYSA-N
XLogP3.11
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 56720422
(2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 95220563
3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-7-methylsulfanyl-1H-quinolin-2-one
CID 56718741
6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
CID 865121
6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one
CID 56714540
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxypropyl)-3-(4-methylphenyl)thiourea
CID 3192145
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(2-methylpropyl)thiourea
CID 3172035
3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3171691
6-ethoxy-3-[(4-methylanilino)methyl]-1H-quinolin-2-one
CID 25318901
N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
CID 1457654
6-ethoxy-3-[[methyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 95226225
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-(2-methylpropyl)thiourea
CID 3172053

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one (CID 56718220) is 6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(CN(C)C(C)c3ccon3)cc2c1.
What is the InChIKey of 6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is UADIWXGRADZPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-4-23-15-5-6-17-13(10-15)9-14(18(22)19-17)11-21(3)12(2)16-7-8-24-20-16/h5-10,12H,4,11H2,1-3H3,(H,19,22).
What are the key properties of 6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one?
6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 327.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56718220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).