N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide

C22H22N2O4 — CID 39945260

IUPACN-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1cc2c(cc1CNC(=O)c1c[nH]c3ccccc3c1=O)O[C@H](C)C2
InChIInChI=1S/C22H22N2O4/c1-3-27-19-9-14-8-13(2)28-20(14)10-15(19)11-24-22(26)17-12-23-18-7-5-4-6-16(18)21(17)25/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,23,25)(H,24,26)/t13-/m1/s1
InChIKeyBZWVETRUNVIVJW-CYBMUJFWSA-N
MW378.43 g/mol
LogP3.18
Rot. Bonds5

About N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide

N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide (PubChem CID 39945260) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide
PubChem CID39945260
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide
SMILESCCOc1cc2c(cc1CNC(=O)c1c[nH]c3ccccc3c1=O)O[C@H](C)C2
InChIInChI=1S/C22H22N2O4/c1-3-27-19-9-14-8-13(2)28-20(14)10-15(19)11-24-22(26)17-12-23-18-7-5-4-6-16(18)21(17)25/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,23,25)(H,24,26)/t13-/m1/s1
InChIKeyBZWVETRUNVIVJW-CYBMUJFWSA-N
XLogP3.18
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide
CID 9268865
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1H-indazole-3-carboxamide
CID 9268869
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methyl-1H-indole-3-carboxamide
CID 31799591
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 39966605
2-(4-bromophenyl)-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide
CID 9398495
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2,5-difluorobenzamide
CID 25478847
N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]benzamide
CID 9398128
N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-3-methylbenzamide
CID 7670514
(3R)-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 40919179
(3R)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 40919181
5-bromo-N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-fluorobenzamide
CID 9400290
N-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 24603625

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide (CID 39945260) is N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide is CCOc1cc2c(cc1CNC(=O)c1c[nH]c3ccccc3c1=O)O[C@H](C)C2.
What is the InChIKey of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide?
The InChIKey is BZWVETRUNVIVJW-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-3-27-19-9-14-8-13(2)28-20(14)10-15(19)11-24-22(26)17-12-23-18-7-5-4-6-16(18)21(17)25/h4-7,9-10,12-13H,3,8,11H2,1-2H3,(H,23,25)(H,24,26)/t13-/m1/s1.
What are the key properties of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide?
N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 39945260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).