(2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide

C16H17N3O3 — CID 125009721

IUPAC(2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
SMILESC[C@@]1(C(N)=O)CN(C(=O)c2ccc3ncccc3c2)CCO1
InChIInChI=1S/C16H17N3O3/c1-16(15(17)21)10-19(7-8-22-16)14(20)12-4-5-13-11(9-12)3-2-6-18-13/h2-6,9H,7-8,10H2,1H3,(H2,17,21)/t16-/m0/s1
InChIKeyVEIGAQQQCLZQHV-INIZCTEOSA-N
MW299.33 g/mol
LogP0.95
Rot. Bonds2

About (2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide

(2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide (PubChem CID 125009721) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
PubChem CID125009721
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide
SMILESC[C@@]1(C(N)=O)CN(C(=O)c2ccc3ncccc3c2)CCO1
InChIInChI=1S/C16H17N3O3/c1-16(15(17)21)10-19(7-8-22-16)14(20)12-4-5-13-11(9-12)3-2-6-18-13/h2-6,9H,7-8,10H2,1H3,(H2,17,21)/t16-/m0/s1
InChIKeyVEIGAQQQCLZQHV-INIZCTEOSA-N
XLogP0.95
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.95
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
(2R)-2-methyl-4-[3-(1,2,4-triazol-4-yl)benzoyl]morpholine-2-carboxamide
CID 95839705
(2R)-4-(2-methoxypyridine-3-carbonyl)-2-methylmorpholine-2-carboxamide
CID 125015588
[4-methyl-4-(methylamino)piperidin-1-yl]-quinolin-6-ylmethanone
CID 115304563
(2R)-4-[4-[(dimethylamino)methyl]benzoyl]-2-methylmorpholine-2-carboxamide
CID 95838161
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
4-[6-[(2-fluorophenyl)methyl]pyridine-3-carbonyl]-2-methylmorpholine-2-carboxamide
CID 110090396
[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
(2R)-2-methyl-4-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)morpholine-2-carboxamide
CID 124942375
[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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide?
The IUPAC name of (2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide (CID 125009721) is (2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide is C[C@@]1(C(N)=O)CN(C(=O)c2ccc3ncccc3c2)CCO1.
What is the InChIKey of (2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide?
The InChIKey is VEIGAQQQCLZQHV-INIZCTEOSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-16(15(17)21)10-19(7-8-22-16)14(20)12-4-5-13-11(9-12)3-2-6-18-13/h2-6,9H,7-8,10H2,1H3,(H2,17,21)/t16-/m0/s1.
What are the key properties of (2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide?
(2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-(quinoline-6-carbonyl)morpholine-2-carboxamide is sourced from PubChem (CID 125009721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).