(2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide

C18H25N3O3 — CID 95220563

IUPAC(2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(C)[C@H](C)C(=O)N(C)C)cc2c1
InChIInChI=1S/C18H25N3O3/c1-6-24-15-7-8-16-13(10-15)9-14(17(22)19-16)11-21(5)12(2)18(23)20(3)4/h7-10,12H,6,11H2,1-5H3,(H,19,22)/t12-/m1/s1
InChIKeyFLPAEWLMIJECLG-GFCCVEGCSA-N
MW331.42 g/mol
LogP1.84
Rot. Bonds6

About (2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide

(2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide (PubChem CID 95220563) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide
PubChem CID95220563
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide
SMILESCCOc1ccc2[nH]c(=O)c(CN(C)[C@H](C)C(=O)N(C)C)cc2c1
InChIInChI=1S/C18H25N3O3/c1-6-24-15-7-8-16-13(10-15)9-14(17(22)19-16)11-21(5)12(2)18(23)20(3)4/h7-10,12H,6,11H2,1-5H3,(H,19,22)/t12-/m1/s1
InChIKeyFLPAEWLMIJECLG-GFCCVEGCSA-N
XLogP1.84
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-3-[[methyl-[1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-1H-quinolin-2-one
CID 56718220
6-ethoxy-3-(hydroxymethyl)-1H-quinolin-2-one
CID 865121
6-ethoxy-3-[[[1-(methoxymethyl)cyclopropyl]-methylamino]methyl]-1H-quinolin-2-one
CID 56714540
N-[(2-chlorophenyl)methyl]-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 1459205
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N,3-dimethylbutanamide
CID 907840
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
N-cyclopropyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-4-methylbenzamide
CID 1457654
1-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(3-hydroxypropyl)-3-(2-methylpropyl)thiourea
CID 3172053
N-cyclopentyl-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3194180
N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 1459162

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide?
The IUPAC name of (2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide (CID 95220563) is (2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for (2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide?
The canonical SMILES for (2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide is CCOc1ccc2[nH]c(=O)c(CN(C)[C@H](C)C(=O)N(C)C)cc2c1.
What is the InChIKey of (2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide?
The InChIKey is FLPAEWLMIJECLG-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-6-24-15-7-8-16-13(10-15)9-14(17(22)19-16)11-21(5)12(2)18(23)20(3)4/h7-10,12H,6,11H2,1-5H3,(H,19,22)/t12-/m1/s1.
What are the key properties of (2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide?
(2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide has a molecular weight of 331.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl-methylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 95220563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).