7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide

C22H23N3O3 — CID 95093772

IUPAC7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(NC(C)=O)cc3nc(C)ccc23)cc1
InChIInChI=1S/C22H23N3O3/c1-13-5-10-19-20(11-17(25-15(3)26)12-21(19)23-13)22(27)24-14(2)16-6-8-18(28-4)9-7-16/h5-12,14H,1-4H3,(H,24,27)(H,25,26)/t14-/m1/s1
InChIKeyJDRHASCKHVKTNK-CQSZACIVSA-N
MW377.44 g/mol
LogP4.00
Rot. Bonds5

About 7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide

7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide (PubChem CID 95093772) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide.

Molecular Properties

Compound Name7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide
PubChem CID95093772
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(NC(C)=O)cc3nc(C)ccc23)cc1
InChIInChI=1S/C22H23N3O3/c1-13-5-10-19-20(11-17(25-15(3)26)12-21(19)23-13)22(27)24-14(2)16-6-8-18(28-4)9-7-16/h5-12,14H,1-4H3,(H,24,27)(H,25,26)/t14-/m1/s1
InChIKeyJDRHASCKHVKTNK-CQSZACIVSA-N
XLogP4.00
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-acetamido-2-methyl-N-[(1S)-1-phenylethyl]quinoline-5-carboxamide
CID 95093769
7-acetamido-N-(2-methoxyethyl)-2-methylquinoline-5-carboxamide
CID 50842476
4-chloro-N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-3-carboxamide
CID 81230651
N-[1-(4-methoxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
CID 110462509
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 100779285
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
1-(3,5-dimethoxyphenyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108869400
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylsulfanylbenzamide
CID 92683618
2-(4-acetamidophenyl)-N-[1-(4-methoxyphenyl)ethyl]acetamide
CID 108792620
N-[1-(4-methoxyphenyl)ethyl]-2-oxo-7-propan-2-yloxychromene-4-carboxamide
CID 75796722
N-[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]-2,6-dimethylquinoline-4-carboxamide
CID 97071690

Frequently Asked Questions

What is the IUPAC name of 7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide?
The IUPAC name of 7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide (CID 95093772) is 7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide.
What is the SMILES notation for 7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide?
The canonical SMILES for 7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide is COc1ccc([C@@H](C)NC(=O)c2cc(NC(C)=O)cc3nc(C)ccc23)cc1.
What is the InChIKey of 7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide?
The InChIKey is JDRHASCKHVKTNK-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13-5-10-19-20(11-17(25-15(3)26)12-21(19)23-13)22(27)24-14(2)16-6-8-18(28-4)9-7-16/h5-12,14H,1-4H3,(H,24,27)(H,25,26)/t14-/m1/s1.
What are the key properties of 7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide?
7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetamido-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylquinoline-5-carboxamide is sourced from PubChem (CID 95093772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).