N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide

C21H20N2O3 — CID 24590384

IUPACN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide
SMILESCCOc1cc2c(cc1NC(=O)c1cccc3ncccc13)OC(C)C2
InChIInChI=1S/C21H20N2O3/c1-3-25-20-11-14-10-13(2)26-19(14)12-18(20)23-21(24)16-6-4-8-17-15(16)7-5-9-22-17/h4-9,11-13H,3,10H2,1-2H3,(H,23,24)
InChIKeyFBCFQTFIPIHPGL-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.21
Rot. Bonds4

About N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide

N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide (PubChem CID 24590384) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide
PubChem CID24590384
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide
SMILESCCOc1cc2c(cc1NC(=O)c1cccc3ncccc13)OC(C)C2
InChIInChI=1S/C21H20N2O3/c1-3-25-20-11-14-10-13(2)26-19(14)12-18(20)23-21(24)16-6-4-8-17-15(16)7-5-9-22-17/h4-9,11-13H,3,10H2,1-2H3,(H,23,24)
InChIKeyFBCFQTFIPIHPGL-UHFFFAOYSA-N
XLogP4.21
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 34165925
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]pyridine-2-carboxamide
CID 40855512
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2,4-dimethylbenzamide
CID 43034703
3-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide;hydrochloride
CID 119697413
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methoxybenzamide
CID 17417438
N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55462433
4-amino-2-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697401
5-bromo-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-fluorobenzamide
CID 43034709
4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697390
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-5-methylpyrazine-2-carboxamide
CID 27901219
2,4-dichloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-fluorobenzamide
CID 24529754
N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 30213686

Frequently Asked Questions

What is the IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide?
The IUPAC name of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide (CID 24590384) is N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide.
What is the SMILES notation for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide?
The canonical SMILES for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide is CCOc1cc2c(cc1NC(=O)c1cccc3ncccc13)OC(C)C2.
What is the InChIKey of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide?
The InChIKey is FBCFQTFIPIHPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-3-25-20-11-14-10-13(2)26-19(14)12-18(20)23-21(24)16-6-4-8-17-15(16)7-5-9-22-17/h4-9,11-13H,3,10H2,1-2H3,(H,23,24).
What are the key properties of N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide?
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)quinoline-5-carboxamide is sourced from PubChem (CID 24590384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).