1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide

C24H27N3O3 — CID 92625940

IUPAC1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)c2cc(=O)n(C)c3ccccc23)N2CCOCC2)cc1
InChIInChI=1S/C24H27N3O3/c1-17-7-9-18(10-8-17)22(27-11-13-30-14-12-27)16-25-24(29)20-15-23(28)26(2)21-6-4-3-5-19(20)21/h3-10,15,22H,11-14,16H2,1-2H3,(H,25,29)/t22-/m1/s1
InChIKeyCFJNLDWMRLIARN-JOCHJYFZSA-N
MW405.50 g/mol
LogP2.65
Rot. Bonds5

About 1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide

1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide (PubChem CID 92625940) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide
PubChem CID92625940
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Name1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide
SMILESCc1ccc([C@@H](CNC(=O)c2cc(=O)n(C)c3ccccc23)N2CCOCC2)cc1
InChIInChI=1S/C24H27N3O3/c1-17-7-9-18(10-8-17)22(27-11-13-30-14-12-27)16-25-24(29)20-15-23(28)26(2)21-6-4-3-5-19(20)21/h3-10,15,22H,11-14,16H2,1-2H3,(H,25,29)/t22-/m1/s1
InChIKeyCFJNLDWMRLIARN-JOCHJYFZSA-N
XLogP2.65
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-1-methylindole-3-carboxamide
CID 29223882
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 31460592
2-amino-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide;dihydrochloride
CID 119946754
4-methyl-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834547
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
2-ethoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 34949540
2-ethoxy-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 34949534
1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide
CID 92625902
N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835176
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 42886342
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 22694279
4-bromo-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 30834490

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide (CID 92625940) is 1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide is Cc1ccc([C@@H](CNC(=O)c2cc(=O)n(C)c3ccccc23)N2CCOCC2)cc1.
What is the InChIKey of 1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide?
The InChIKey is CFJNLDWMRLIARN-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-17-7-9-18(10-8-17)22(27-11-13-30-14-12-27)16-25-24(29)20-15-23(28)26(2)21-6-4-3-5-19(20)21/h3-10,15,22H,11-14,16H2,1-2H3,(H,25,29)/t22-/m1/s1.
What are the key properties of 1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide?
1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 92625940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).