1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide

C23H27N3O5S — CID 51960249

IUPAC1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCS(=O)(=O)N1CCCc2cc(C(=O)N[C@@H](C(=O)N3CCOCC3)c3ccccc3)ccc21
InChIInChI=1S/C23H27N3O5S/c1-32(29,30)26-11-5-8-18-16-19(9-10-20(18)26)22(27)24-21(17-6-3-2-4-7-17)23(28)25-12-14-31-15-13-25/h2-4,6-7,9-10,16,21H,5,8,11-15H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyDTVFZWCVNZTRHC-OAQYLSRUSA-N
MW457.55 g/mol
LogP1.73
Rot. Bonds5

About 1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide

1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 51960249) has the molecular formula C23H27N3O5S and a molecular weight of 457.55 g/mol. Its IUPAC name is 1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID51960249
Molecular FormulaC23H27N3O5S
Molecular Weight457.55 g/mol
Exact Mass457.17
IUPAC Name1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCS(=O)(=O)N1CCCc2cc(C(=O)N[C@@H](C(=O)N3CCOCC3)c3ccccc3)ccc21
InChIInChI=1S/C23H27N3O5S/c1-32(29,30)26-11-5-8-18-16-19(9-10-20(18)26)22(27)24-21(17-6-3-2-4-7-17)23(28)25-12-14-31-15-13-25/h2-4,6-7,9-10,16,21H,5,8,11-15H2,1H3,(H,24,27)/t21-/m1/s1
InChIKeyDTVFZWCVNZTRHC-OAQYLSRUSA-N
XLogP1.73
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.55
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-benzhydryl-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 8777596
3,4-dimethyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286919
2-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548755
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 86929892
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 9061360
N-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-4-phenylbenzamide
CID 7658010
4-methyl-4-[(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]pentanoic acid
CID 119203628
N-(2-morpholin-4-yl-2-oxo-1-phenylethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 110626186
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 8819694
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 28544504
2-methyl-N-[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl]benzamide
CID 110286907
N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 25497877

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 51960249) is 1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide is CS(=O)(=O)N1CCCc2cc(C(=O)N[C@@H](C(=O)N3CCOCC3)c3ccccc3)ccc21.
What is the InChIKey of 1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is DTVFZWCVNZTRHC-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N3O5S/c1-32(29,30)26-11-5-8-18-16-19(9-10-20(18)26)22(27)24-21(17-6-3-2-4-7-17)23(28)25-12-14-31-15-13-25/h2-4,6-7,9-10,16,21H,5,8,11-15H2,1H3,(H,24,27)/t21-/m1/s1.
What are the key properties of 1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-[(1R)-2-morpholin-4-yl-2-oxo-1-phenylethyl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 51960249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).