N-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide

C20H20N2O2 — CID 138978300

IUPACN-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide
SMILESCOc1ccc2nc([C@H](Cc3ccccc3)NC(C)=O)ccc2c1
InChIInChI=1S/C20H20N2O2/c1-14(23)21-20(12-15-6-4-3-5-7-15)19-10-8-16-13-17(24-2)9-11-18(16)22-19/h3-11,13,20H,12H2,1-2H3,(H,21,23)/t20-/m0/s1
InChIKeyGVVBEQBIXXKWMI-FQEVSTJZSA-N
MW320.39 g/mol
LogP3.66
Rot. Bonds5

About N-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide

N-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide (PubChem CID 138978300) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide
PubChem CID138978300
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC NameN-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide
SMILESCOc1ccc2nc([C@H](Cc3ccccc3)NC(C)=O)ccc2c1
InChIInChI=1S/C20H20N2O2/c1-14(23)21-20(12-15-6-4-3-5-7-15)19-10-8-16-13-17(24-2)9-11-18(16)22-19/h3-11,13,20H,12H2,1-2H3,(H,21,23)/t20-/m0/s1
InChIKeyGVVBEQBIXXKWMI-FQEVSTJZSA-N
XLogP3.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethanamine
CID 146479702
N-[(1R)-1-(4-methoxyphenyl)-2-quinolin-2-ylethyl]acetamide
CID 130474047
6-methoxy-N-(1-phenylpropan-2-yl)naphthalene-2-carboxamide
CID 142841274
methyl (4S)-4-acetamido-4-(6-tert-butylquinolin-2-yl)butanoate
CID 146167359
N-[(1S)-2-(4-fluorophenyl)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94818625
N-[2-(4-methoxyphenyl)sulfanyl-1-phenylethyl]acetamide
CID 15686336
N-[2-(3-methoxyphenyl)-1-(4-methoxyphenyl)ethyl]-2-phenylacetamide
CID 143753176
(2S)-2-acetamido-N-ethyl-N-(4-methoxyphenyl)-3-phenylpropanamide
CID 144836010
2-butan-2-yl-6-methoxyquinoline
CID 142826325
2-methoxy-7-[(2R)-1-phenylpropan-2-yl]oxyphenazine
CID 155707776
2-amino-N-[1-(4-methoxyphenyl)-2-phenylethyl]acetamide
CID 67761066
N-(2-benzyl-8-methoxybenzo[f]quinoxalin-3-yl)acetamide
CID 70662806

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide?
The IUPAC name of N-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide (CID 138978300) is N-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide.
What is the SMILES notation for N-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide?
The canonical SMILES for N-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide is COc1ccc2nc([C@H](Cc3ccccc3)NC(C)=O)ccc2c1.
What is the InChIKey of N-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide?
The InChIKey is GVVBEQBIXXKWMI-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-14(23)21-20(12-15-6-4-3-5-7-15)19-10-8-16-13-17(24-2)9-11-18(16)22-19/h3-11,13,20H,12H2,1-2H3,(H,21,23)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide?
N-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide has a molecular weight of 320.39 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(6-methoxyquinolin-2-yl)-2-phenylethyl]acetamide is sourced from PubChem (CID 138978300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).