3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide

C25H22N2O4 — CID 78891639

IUPAC3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCOc2ccc3c(c2)CCC(=O)N3)oc2c1ccc1ccccc12
InChIInChI=1S/C25H22N2O4/c1-15-19-9-6-16-4-2-3-5-20(16)24(19)31-23(15)25(29)26-12-13-30-18-8-10-21-17(14-18)7-11-22(28)27-21/h2-6,8-10,14H,7,11-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyOOBCXRRZFRMRKE-UHFFFAOYSA-N
MW414.46 g/mol
LogP4.59
Rot. Bonds5

About 3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide

3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide (PubChem CID 78891639) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide
PubChem CID78891639
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCCOc2ccc3c(c2)CCC(=O)N3)oc2c1ccc1ccccc12
InChIInChI=1S/C25H22N2O4/c1-15-19-9-6-16-4-2-3-5-20(16)24(19)31-23(15)25(29)26-12-13-30-18-8-10-21-17(14-18)7-11-22(28)27-21/h2-6,8-10,14H,7,11-13H2,1H3,(H,26,29)(H,27,28)
InChIKeyOOBCXRRZFRMRKE-UHFFFAOYSA-N
XLogP4.59
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-4-methoxy-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78902281
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688
4-methoxy-N-[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)oxy]ethyl]benzamide
CID 172880287
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide
CID 78891643
2-(9-oxoacridin-10-yl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]acetamide
CID 78892122
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
CID 119430725
2-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 78892140
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride
CID 119430724
5-[(4-fluorophenoxy)methyl]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]furan-2-carboxamide
CID 78891960
2-[(4-fluorophenyl)methoxy]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891950
2-benzyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-1,3-thiazole-4-carboxamide
CID 78892145
3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
CID 7926460

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide (CID 78891639) is 3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide is Cc1c(C(=O)NCCOc2ccc3c(c2)CCC(=O)N3)oc2c1ccc1ccccc12.
What is the InChIKey of 3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide?
The InChIKey is OOBCXRRZFRMRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-15-19-9-6-16-4-2-3-5-20(16)24(19)31-23(15)25(29)26-12-13-30-18-8-10-21-17(14-18)7-11-22(28)27-21/h2-6,8-10,14H,7,11-13H2,1H3,(H,26,29)(H,27,28).
What are the key properties of 3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide?
3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 78891639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).