8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide

C22H23N3O4 — CID 95097426

IUPAC8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccnc3c(NC(C)=O)cccc23)cc1OC
InChIInChI=1S/C22H23N3O4/c1-13(15-8-9-19(28-3)20(12-15)29-4)24-22(27)17-10-11-23-21-16(17)6-5-7-18(21)25-14(2)26/h5-13H,1-4H3,(H,24,27)(H,25,26)/t13-/m1/s1
InChIKeyUYIJUPCLIZATAK-CYBMUJFWSA-N
MW393.44 g/mol
LogP3.70
Rot. Bonds6

About 8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide

8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide (PubChem CID 95097426) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
PubChem CID95097426
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2ccnc3c(NC(C)=O)cccc23)cc1OC
InChIInChI=1S/C22H23N3O4/c1-13(15-8-9-19(28-3)20(12-15)29-4)24-22(27)17-10-11-23-21-16(17)6-5-7-18(21)25-14(2)26/h5-13H,1-4H3,(H,24,27)(H,25,26)/t13-/m1/s1
InChIKeyUYIJUPCLIZATAK-CYBMUJFWSA-N
XLogP3.70
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-acetamido-N-[(1R)-1-(4-fluorophenyl)ethyl]quinoline-4-carboxamide
CID 95097428
N-[1-(3,4,5-trimethoxyphenyl)ethyl]quinoline-5-carboxamide
CID 55725605
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
N-[1-(3-acetamidophenyl)ethyl]-2,3,4-trimethoxybenzamide
CID 46598814
8-acetamido-N-(3-methylbutyl)quinoline-4-carboxamide
CID 53149882
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-phenylquinoline-4-carboxamide
CID 2220812
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-1,2-dihydroacenaphthylene-5-carboxamide
CID 46414825
6-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-2-carboxamide
CID 84580916
N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108500688
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methyl-3-nitrobenzamide
CID 17329397

Frequently Asked Questions

What is the IUPAC name of 8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of 8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide (CID 95097426) is 8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide is COc1ccc([C@@H](C)NC(=O)c2ccnc3c(NC(C)=O)cccc23)cc1OC.
What is the InChIKey of 8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
The InChIKey is UYIJUPCLIZATAK-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-13(15-8-9-19(28-3)20(12-15)29-4)24-22(27)17-10-11-23-21-16(17)6-5-7-18(21)25-14(2)26/h5-13H,1-4H3,(H,24,27)(H,25,26)/t13-/m1/s1.
What are the key properties of 8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide?
8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetamido-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 95097426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).