N'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide

C28H28N4O3 — CID 30835743

IUPACN'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C28H28N4O3/c1-19-17-25(23-10-4-5-12-24(23)30-19)31-28(34)27(33)29-18-26(32-13-15-35-16-14-32)22-11-6-8-20-7-2-3-9-21(20)22/h2-12,17,26H,13-16,18H2,1H3,(H,29,33)(H,30,31,34)/t26-/m1/s1
InChIKeySUJJGUPOKFYOLS-AREMUKBSSA-N
MW468.56 g/mol
LogP3.82
Rot. Bonds5

About N'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide

N'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide (PubChem CID 30835743) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide.

Molecular Properties

Compound NameN'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide
PubChem CID30835743
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide
SMILESCc1cc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C28H28N4O3/c1-19-17-25(23-10-4-5-12-24(23)30-19)31-28(34)27(33)29-18-26(32-13-15-35-16-14-32)22-11-6-8-20-7-2-3-9-21(20)22/h2-12,17,26H,13-16,18H2,1H3,(H,29,33)(H,30,31,34)/t26-/m1/s1
InChIKeySUJJGUPOKFYOLS-AREMUKBSSA-N
XLogP3.82
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
CID 16813231
N'-(2,3-dimethylphenyl)-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
CID 41454843
N'-(3-chloro-4-methoxyphenyl)-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)oxamide
CID 16813230
2-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]quinolin-4-amine
CID 97068034
4-fluoro-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]benzamide
CID 30834879
3,4-dimethoxy-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)benzamide
CID 16813221
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylquinolin-4-amine
CID 71899447
N'-tert-butyl-N-[(2S)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
CID 41454839
N'-(4-methoxyphenyl)-N-[(2R)-2-naphthalen-1-yl-2-pyrrolidin-1-ylethyl]oxamide
CID 41454719
N'-(2-methylquinolin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 41453104
2-methyl-N-(2-morpholin-4-yl-2-naphthalen-1-ylethyl)-3-nitrobenzamide
CID 18589084
2-methyl-N-[(2R)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]-3-nitrobenzamide
CID 30834870

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide?
The IUPAC name of N'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide (CID 30835743) is N'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide.
What is the SMILES notation for N'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide?
The canonical SMILES for N'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide is Cc1cc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N2CCOCC2)c2ccccc2n1.
What is the InChIKey of N'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide?
The InChIKey is SUJJGUPOKFYOLS-AREMUKBSSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-19-17-25(23-10-4-5-12-24(23)30-19)31-28(34)27(33)29-18-26(32-13-15-35-16-14-32)22-11-6-8-20-7-2-3-9-21(20)22/h2-12,17,26H,13-16,18H2,1H3,(H,29,33)(H,30,31,34)/t26-/m1/s1.
What are the key properties of N'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide?
N'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide has a molecular weight of 468.56 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylquinolin-4-yl)-N-[(2S)-2-morpholin-4-yl-2-naphthalen-1-ylethyl]oxamide is sourced from PubChem (CID 30835743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).