1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide

C23H25N3O3 — CID 92625902

IUPAC1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(=O)n(C)c2ccccc12)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H25N3O3/c1-16(17-7-9-18(10-8-17)26-11-13-29-14-12-26)24-23(28)20-15-22(27)25(2)21-6-4-3-5-19(20)21/h3-10,15-16H,11-14H2,1-2H3,(H,24,28)/t16-/m1/s1
InChIKeySTHOXJYEDHWQBN-MRXNPFEDSA-N
MW391.47 g/mol
LogP2.87
Rot. Bonds4

About 1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide

1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide (PubChem CID 92625902) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide
PubChem CID92625902
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide
SMILESC[C@@H](NC(=O)c1cc(=O)n(C)c2ccccc12)c1ccc(N2CCOCC2)cc1
InChIInChI=1S/C23H25N3O3/c1-16(17-7-9-18(10-8-17)26-11-13-29-14-12-26)24-23(28)20-15-22(27)25(2)21-6-4-3-5-19(20)21/h3-10,15-16H,11-14H2,1-2H3,(H,24,28)/t16-/m1/s1
InChIKeySTHOXJYEDHWQBN-MRXNPFEDSA-N
XLogP2.87
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-methyl-N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-oxoquinoline-4-carboxamide
CID 92625940
4-[(1S)-1-[[1-methyl-3-(3-morpholin-4-ylanilino)indole-2-carbonyl]amino]ethyl]benzoic acid
CID 172789885
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 99927276
1-benzyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-2-oxopyridine-3-carboxamide
CID 48664810
2-methyl-1-oxo-N-[1-(4-piperidin-1-ylphenyl)ethyl]isoquinoline-4-carboxamide
CID 46977353
1-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-3-phenylurea
CID 95238427
3,4-dichloro-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 48663587
1-methyl-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)-2-oxoquinoline-4-carboxamide
CID 55756456
3,7-dimethyl-N-[1-(4-morpholin-4-ylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 48664763
N-[(2R,3S,4S)-3-hydroxy-2-(morpholin-4-ylmethyl)oxan-4-yl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 165422998
4-methyl-3-morpholin-4-yl-N-[1-(4-morpholin-4-ylphenyl)ethyl]benzamide
CID 46977369
N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55785647

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide (CID 92625902) is 1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide is C[C@@H](NC(=O)c1cc(=O)n(C)c2ccccc12)c1ccc(N2CCOCC2)cc1.
What is the InChIKey of 1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide?
The InChIKey is STHOXJYEDHWQBN-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16(17-7-9-18(10-8-17)26-11-13-29-14-12-26)24-23(28)20-15-22(27)25(2)21-6-4-3-5-19(20)21/h3-10,15-16H,11-14H2,1-2H3,(H,24,28)/t16-/m1/s1.
What are the key properties of 1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide?
1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 92625902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).