N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide

C21H22N2O3 — CID 154840880

IUPACN-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC1(C)CCc2[nH]c(=O)c(C(=O)NCc3cc4ccccc4o3)cc2C1
InChIInChI=1S/C21H22N2O3/c1-21(2)8-7-17-14(11-21)10-16(20(25)23-17)19(24)22-12-15-9-13-5-3-4-6-18(13)26-15/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJIZUIGXFKZVPGW-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.57
Rot. Bonds3

About N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide

N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 154840880) has the molecular formula C21H22N2O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID154840880
Molecular FormulaC21H22N2O3
Molecular Weight350.42 g/mol
Exact Mass350.16
IUPAC NameN-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC1(C)CCc2[nH]c(=O)c(C(=O)NCc3cc4ccccc4o3)cc2C1
InChIInChI=1S/C21H22N2O3/c1-21(2)8-7-17-14(11-21)10-16(20(25)23-17)19(24)22-12-15-9-13-5-3-4-6-18(13)26-15/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJIZUIGXFKZVPGW-UHFFFAOYSA-N
XLogP3.57
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

6,6-dimethyl-N-[(3-methyl-4-phenylphenyl)methyl]-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 167796117
6,6-dimethyl-2-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 154840869
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-(1-benzylpyrazol-4-yl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 167865040
N-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 167895166
6,6-dimethyl-2-oxo-N-[2-(5-oxopyrrolidin-3-yl)phenyl]-1,5,7,8-tetrahydroquinoline-3-carboxamide
CID 167903422
N-(1-benzofuran-2-ylmethyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 87018608
N-(1-benzofuran-2-ylmethyl)-3-methylquinoxaline-2-carboxamide
CID 140966924
N-(1-benzofuran-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 86994452
N-[(4-methylphenyl)methyl]-2-oxo-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 66495254
1-(1-benzofuran-2-ylmethyl)-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 110924364
7,7-dimethyl-2,5-dioxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-6,8-dihydro-1H-quinoline-3-carboxamide
CID 56559974

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide (CID 154840880) is N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide is CC1(C)CCc2[nH]c(=O)c(C(=O)NCc3cc4ccccc4o3)cc2C1.
What is the InChIKey of N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is JIZUIGXFKZVPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3/c1-21(2)8-7-17-14(11-21)10-16(20(25)23-17)19(24)22-12-15-9-13-5-3-4-6-18(13)26-15/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide?
N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-2-ylmethyl)-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 154840880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).