N-quinolin-6-yl-N'-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide

C23H23N3O2 — CID 94908546

IUPACN-quinolin-6-yl-N'-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H23N3O2/c1-15(17-9-8-16-5-2-3-6-18(16)13-17)25-22(27)23(28)26-20-10-11-21-19(14-20)7-4-12-24-21/h4,7-15H,2-3,5-6H2,1H3,(H,25,27)(H,26,28)/t15-/m0/s1
InChIKeyOEOVAQHZYOGRIE-HNNXBMFYSA-N
MW373.46 g/mol
LogP3.93
Rot. Bonds3

About N-quinolin-6-yl-N'-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide

N-quinolin-6-yl-N'-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide (PubChem CID 94908546) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-quinolin-6-yl-N'-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide.

Molecular Properties

Compound NameN-quinolin-6-yl-N'-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
PubChem CID94908546
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-quinolin-6-yl-N'-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H23N3O2/c1-15(17-9-8-16-5-2-3-6-18(16)13-17)25-22(27)23(28)26-20-10-11-21-19(14-20)7-4-12-24-21/h4,7-15H,2-3,5-6H2,1H3,(H,25,27)(H,26,28)/t15-/m0/s1
InChIKeyOEOVAQHZYOGRIE-HNNXBMFYSA-N
XLogP3.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-quinolin-8-yl-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511303
N-(4-tert-butylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511276
N-(2-bromophenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511313
N-(2,3-dimethylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108511155
N-(4-hydroxy-2-methylphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108509455
2-pyrimidin-2-ylsulfanyl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 51110143
N-(5-chloro-2-methoxyphenyl)-N'-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide
CID 108502169
N-(cyanomethyl)-N'-quinolin-6-yloxamide
CID 62634263
1-(4-chlorophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868681
1-(4-bromophenyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108869222
2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid
CID 103498293
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594

Frequently Asked Questions

What is the IUPAC name of N-quinolin-6-yl-N'-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The IUPAC name of N-quinolin-6-yl-N'-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide (CID 94908546) is N-quinolin-6-yl-N'-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide.
What is the SMILES notation for N-quinolin-6-yl-N'-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The canonical SMILES for N-quinolin-6-yl-N'-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide is C[C@H](NC(=O)C(=O)Nc1ccc2ncccc2c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of N-quinolin-6-yl-N'-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
The InChIKey is OEOVAQHZYOGRIE-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15(17-9-8-16-5-2-3-6-18(16)13-17)25-22(27)23(28)26-20-10-11-21-19(14-20)7-4-12-24-21/h4,7-15H,2-3,5-6H2,1H3,(H,25,27)(H,26,28)/t15-/m0/s1.
What are the key properties of N-quinolin-6-yl-N'-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide?
N-quinolin-6-yl-N'-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide has a molecular weight of 373.46 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-6-yl-N'-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]oxamide is sourced from PubChem (CID 94908546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).