(2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide

C18H22N4O3 — CID 122133427

IUPAC(2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(C(=O)c2cc(N(C)C)nc3ccccc23)[C@@H]1C(N)=O
InChIInChI=1S/C18H22N4O3/c1-11-16(17(19)23)22(8-9-25-11)18(24)13-10-15(21(2)3)20-14-7-5-4-6-12(13)14/h4-7,10-11,16H,8-9H2,1-3H3,(H2,19,23)/t11-,16+/m1/s1
InChIKeyFAFGNVUYAVUANL-BZNIZROVSA-N
MW342.40 g/mol
LogP1.02
Rot. Bonds3

About (2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide (PubChem CID 122133427) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide
PubChem CID122133427
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN(C(=O)c2cc(N(C)C)nc3ccccc23)[C@@H]1C(N)=O
InChIInChI=1S/C18H22N4O3/c1-11-16(17(19)23)22(8-9-25-11)18(24)13-10-15(21(2)3)20-14-7-5-4-6-12(13)14/h4-7,10-11,16H,8-9H2,1-3H3,(H2,19,23)/t11-,16+/m1/s1
InChIKeyFAFGNVUYAVUANL-BZNIZROVSA-N
XLogP1.02
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(dimethylamino)quinolin-4-yl]-[(2R,3S,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]methanone
CID 97347863
(2S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methoxypyrrolidine-2-carboxamide
CID 128984082
(3S,4S)-1-[2-(dimethylamino)quinoline-4-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 122112103
[2-(dimethylamino)quinolin-4-yl]-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 99698521
2-(dimethylamino)-N-ethylquinoline-4-carboxamide
CID 53016631
7-[2-(dimethylamino)quinoline-4-carbonyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 154842205
[2-[cyclohexyl(methyl)amino]quinolin-4-yl]-[(3R,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 92760503
[(1S,6S,7R)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-yl] 2-(dimethylamino)quinoline-4-carboxylate
CID 98878645
(3R,6S)-6-methyl-1-(2-methylquinoline-4-carbonyl)piperidine-3-carboxamide
CID 95290424
4-(2-phenylquinoline-4-carbonyl)morpholine-2-carboxylic acid
CID 119358047
N-[[2-(dimethylamino)quinolin-4-yl]methyl]-2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepine-5-carboxamide
CID 167951101
(3R,6S)-1-(2-cyclopropylquinoline-4-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95161082

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide (CID 122133427) is (2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN(C(=O)c2cc(N(C)C)nc3ccccc23)[C@@H]1C(N)=O.
What is the InChIKey of (2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is FAFGNVUYAVUANL-BZNIZROVSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-11-16(17(19)23)22(8-9-25-11)18(24)13-10-15(21(2)3)20-14-7-5-4-6-12(13)14/h4-7,10-11,16H,8-9H2,1-3H3,(H2,19,23)/t11-,16+/m1/s1.
What are the key properties of (2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-[2-(dimethylamino)quinoline-4-carbonyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 122133427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).