2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide

C18H21N3O3 — CID 94799939

IUPAC2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C18H21N3O3/c1-12-11-15(14-5-3-4-6-16(14)19-12)17(22)20-13(2)18(23)21-7-9-24-10-8-21/h3-6,11,13H,7-10H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyJVJCLHKMXRONLO-ZDUSSCGKSA-N
MW327.38 g/mol
LogP1.52
Rot. Bonds3

About 2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide

2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide (PubChem CID 94799939) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide
PubChem CID94799939
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C18H21N3O3/c1-12-11-15(14-5-3-4-6-16(14)19-12)17(22)20-13(2)18(23)21-7-9-24-10-8-21/h3-6,11,13H,7-10H2,1-2H3,(H,20,22)/t13-/m0/s1
InChIKeyJVJCLHKMXRONLO-ZDUSSCGKSA-N
XLogP1.52
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide with MolForge

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Related Compounds

N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]benzo[f]quinoline-5-carboxamide
CID 95018401
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-methylquinoline-4-carboxamide
CID 61121065
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 40811970
N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxochromene-3-carboxamide
CID 94813486
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
N-(1-cyanoethyl)-2-methylquinoline-4-carboxamide
CID 61119261
N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-2-methylquinoline-4-carboxamide
CID 25333299
2,5-dimethyl-1-(2-methylphenyl)-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]pyrrole-3-carboxamide
CID 95040746
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
2,3-difluoro-N-(1-morpholin-4-yl-1-oxopropan-2-yl)benzamide
CID 115605200
2-methyl-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]quinoline-4-carboxamide
CID 6241165
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide?
The IUPAC name of 2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide (CID 94799939) is 2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide?
The canonical SMILES for 2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide is Cc1cc(C(=O)N[C@@H](C)C(=O)N2CCOCC2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide?
The InChIKey is JVJCLHKMXRONLO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-11-15(14-5-3-4-6-16(14)19-12)17(22)20-13(2)18(23)21-7-9-24-10-8-21/h3-6,11,13H,7-10H2,1-2H3,(H,20,22)/t13-/m0/s1.
What are the key properties of 2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide?
2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 94799939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).