N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide

C26H34N4O3 — CID 27369962

IUPACN'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1
InChIInChI=1S/C26H34N4O3/c1-19-5-7-20(8-6-19)17-27-25(31)26(32)28-18-24(30-12-14-33-15-13-30)22-9-10-23-21(16-22)4-3-11-29(23)2/h5-10,16,24H,3-4,11-15,17-18H2,1-2H3,(H,27,31)(H,28,32)/t24-/m1/s1
InChIKeyMSRYKHRTUUFWEZ-XMMPIXPASA-N
MW450.58 g/mol
LogP2.18
Rot. Bonds6

About N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide

N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 27369962) has the molecular formula C26H34N4O3 and a molecular weight of 450.58 g/mol. Its IUPAC name is N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
PubChem CID27369962
Molecular FormulaC26H34N4O3
Molecular Weight450.58 g/mol
Exact Mass450.26
IUPAC NameN'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1
InChIInChI=1S/C26H34N4O3/c1-19-5-7-20(8-6-19)17-27-25(31)26(32)28-18-24(30-12-14-33-15-13-30)22-9-10-23-21(16-22)4-3-11-29(23)2/h5-10,16,24H,3-4,11-15,17-18H2,1-2H3,(H,27,31)(H,28,32)/t24-/m1/s1
InChIKeyMSRYKHRTUUFWEZ-XMMPIXPASA-N
XLogP2.18
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835185
N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N'-(4-propan-2-ylphenyl)oxamide
CID 18571899
N'-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]-N-(2-methylpropyl)oxamide
CID 30576488
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2R)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]oxamide
CID 30576318
N'-[(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-(4-methylpiperazin-1-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 30578000
N-(1,3-benzodioxol-5-ylmethyl)-N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-pyrrolidin-1-ylethyl]oxamide
CID 40948017
4-methyl-N-[(2S)-2-(1-methyl-2,3-dihydroindol-5-yl)-2-morpholin-4-ylethyl]benzamide
CID 30575734
5-bromo-N-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide
CID 27369839
5-bromo-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]furan-2-carboxamide
CID 20934532
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835189
N-benzyl-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835176
N'-(2,5-difluorophenyl)-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]oxamide
CID 18571875

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide (CID 27369962) is N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)N2CCOCC2)cc1.
What is the InChIKey of N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is MSRYKHRTUUFWEZ-XMMPIXPASA-N. The full InChI is InChI=1S/C26H34N4O3/c1-19-5-7-20(8-6-19)17-27-25(31)26(32)28-18-24(30-12-14-33-15-13-30)22-9-10-23-21(16-22)4-3-11-29(23)2/h5-10,16,24H,3-4,11-15,17-18H2,1-2H3,(H,27,31)(H,28,32)/t24-/m1/s1.
What are the key properties of N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide?
N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 450.58 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethyl]-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 27369962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).