(2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide

C17H19N3O3 — CID 124978041

IUPAC(2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(C(=O)c2ccc3ncccc3c2)CCO1
InChIInChI=1S/C17H19N3O3/c1-17(16(22)18-2)11-20(8-9-23-17)15(21)13-5-6-14-12(10-13)4-3-7-19-14/h3-7,10H,8-9,11H2,1-2H3,(H,18,22)/t17-/m0/s1
InChIKeyLQYAZUAMRUSVAY-KRWDZBQOSA-N
MW313.36 g/mol
LogP1.21
Rot. Bonds2

About (2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide

(2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide (PubChem CID 124978041) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
PubChem CID124978041
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(C(=O)c2ccc3ncccc3c2)CCO1
InChIInChI=1S/C17H19N3O3/c1-17(16(22)18-2)11-20(8-9-23-17)15(21)13-5-6-14-12(10-13)4-3-7-19-14/h3-7,10H,8-9,11H2,1-2H3,(H,18,22)/t17-/m0/s1
InChIKeyLQYAZUAMRUSVAY-KRWDZBQOSA-N
XLogP1.21
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
CID 125009721
(2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide
CID 95839532
[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 115304563
N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide
CID 110106963
N,2-dimethyl-4-(4-propan-2-yloxybenzoyl)morpholine-2-carboxamide
CID 110106977
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-N-methyl-1-(quinoline-6-carbonyl)pyrrolidine-3-carboxamide
CID 127249241
[2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-quinolin-6-ylmethanone
CID 110115591
(3-propan-2-yl-1-oxa-9-azaspiro[4.5]decan-9-yl)-quinolin-6-ylmethanone
CID 134073962
[4-(1-bromoethyl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 106839347
[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-6-ylmethanone
CID 97419649
1-[(5aR,9aS)-8-(quinoline-6-carbonyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepin-4-yl]ethanone
CID 97403439
(2S)-N,2-dimethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 92632636

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide?
The IUPAC name of (2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide (CID 124978041) is (2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide is CNC(=O)[C@]1(C)CN(C(=O)c2ccc3ncccc3c2)CCO1.
What is the InChIKey of (2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide?
The InChIKey is LQYAZUAMRUSVAY-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-17(16(22)18-2)11-20(8-9-23-17)15(21)13-5-6-14-12(10-13)4-3-7-19-14/h3-7,10H,8-9,11H2,1-2H3,(H,18,22)/t17-/m0/s1.
What are the key properties of (2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide?
(2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 124978041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).