6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one

C18H24N2O3 — CID 56714540

IUPAC6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CN(C)C3(COC)CC3)cc2c1
InChIInChI=1S/C18H24N2O3/c1-4-23-15-5-6-16-13(10-15)9-14(17(21)19-16)11-20(2)18(7-8-18)12-22-3/h5-6,9-10H,4,7-8,11-12H2,1-3H3,(H,19,21)
InChIKeyYZBKHOZFPZJRKW-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.54
Rot. Bonds7

About 6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one

6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one (PubChem CID 56714540) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one
PubChem CID56714540
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one
SMILESCCOc1ccc2[nH]c(=O)c(CN(C)C3(COC)CC3)cc2c1
InChIInChI=1S/C18H24N2O3/c1-4-23-15-5-6-16-13(10-15)9-14(17(21)19-16)11-20(2)18(7-8-18)12-22-3/h5-6,9-10H,4,7-8,11-12H2,1-3H3,(H,19,21)
InChIKeyYZBKHOZFPZJRKW-UHFFFAOYSA-N
XLogP2.54
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
CID 865121
(2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide
CID 95220563
3-[[2-(dimethylamino)ethylamino]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3171691
6-ethoxy-3-[(2-methoxyethylamino)methyl]-1H-quinolin-2-one
CID 3215146
6-ethoxy-3-[[methyl-[[(2R)-1-methylpyrrolidin-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 95226225
N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
CID 1457654
N-cyclopentyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3194180
1-[2-(dimethylamino)ethyl]-1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(3-methoxypropyl)thiourea
CID 3172592
N-cyclohexyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
CID 1459156
6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one
CID 56718220
6-ethoxy-3-(3-morpholin-4-ylpropyl)-1H-quinolin-2-one
CID 170870835
N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459205

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one (CID 56714540) is 6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one is CCOc1ccc2[nH]c(=O)c(CN(C)C3(COC)CC3)cc2c1.
What is the InChIKey of 6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one?
The InChIKey is YZBKHOZFPZJRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-4-23-15-5-6-16-13(10-15)9-14(17(21)19-16)11-20(2)18(7-8-18)12-22-3/h5-6,9-10H,4,7-8,11-12H2,1-3H3,(H,19,21).
What are the key properties of 6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one?
6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one has a molecular weight of 316.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56714540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).