(2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide

C17H19N3O3 — CID 95839532

IUPAC(2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(C(=O)c2cccc3ncccc23)CCO1
InChIInChI=1S/C17H19N3O3/c1-17(16(22)18-2)11-20(9-10-23-17)15(21)13-5-3-7-14-12(13)6-4-8-19-14/h3-8H,9-11H2,1-2H3,(H,18,22)/t17-/m0/s1
InChIKeyVRAXJIIIRVAKQV-KRWDZBQOSA-N
MW313.36 g/mol
LogP1.21
Rot. Bonds2

About (2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide

(2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide (PubChem CID 95839532) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is (2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide
PubChem CID95839532
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name(2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide
SMILESCNC(=O)[C@]1(C)CN(C(=O)c2cccc3ncccc23)CCO1
InChIInChI=1S/C17H19N3O3/c1-17(16(22)18-2)11-20(9-10-23-17)15(21)13-5-3-7-14-12(13)6-4-8-19-14/h3-8H,9-11H2,1-2H3,(H,18,22)/t17-/m0/s1
InChIKeyVRAXJIIIRVAKQV-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)-N,2-dimethyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
CID 124978041
(2S)-N,2-dimethyl-4-(1-methylpyrazole-3-carbonyl)morpholine-2-carboxamide
CID 95815552
(2R)-4-(2-methoxypyridine-3-carbonyl)-2-methylmorpholine-2-carboxamide
CID 125015588
N,2-dimethyl-4-(2-propan-2-ylpyrimidine-5-carbonyl)morpholine-2-carboxamide
CID 110106963
(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)-quinolin-4-ylmethanone
CID 71971495
(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-quinolin-5-ylmethanone
CID 110159736
(4-bromopiperidin-1-yl)-quinolin-5-ylmethanone
CID 80661755
4-(5-methoxy-1H-indole-3-carbonyl)-N,2-dimethylmorpholine-2-carboxamide
CID 132764227
(2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
CID 125009721
(2S)-N,2-dimethyl-4-[[2-(methylamino)-3-pyridinyl]methyl]morpholine-2-carboxamide
CID 92632636
(2R)-N,2-dimethyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)morpholine-2-carboxamide
CID 124986885
(2-pyridin-4-ylmorpholin-4-yl)-quinolin-5-ylmethanone
CID 110102580

Frequently Asked Questions

What is the IUPAC name of (2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide?
The IUPAC name of (2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide (CID 95839532) is (2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide is CNC(=O)[C@]1(C)CN(C(=O)c2cccc3ncccc23)CCO1.
What is the InChIKey of (2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide?
The InChIKey is VRAXJIIIRVAKQV-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-17(16(22)18-2)11-20(9-10-23-17)15(21)13-5-3-7-14-12(13)6-4-8-19-14/h3-8H,9-11H2,1-2H3,(H,18,22)/t17-/m0/s1.
What are the key properties of (2S)-N,2-dimethyl-4-(quinoline-5-carbonyl)morpholine-2-carboxamide?
(2S)-N,2-dimethyl-4-(quinoline-5-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-5-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 95839532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).