N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide

C22H22N2O4 — CID 50976661

IUPACN-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide
SMILESCCc1oc2ccccc2c1C1CC(=O)Nc2cc(OC)c(NC(C)=O)cc21
InChIInChI=1S/C22H22N2O4/c1-4-18-22(13-7-5-6-8-19(13)28-18)15-10-21(26)24-16-11-20(27-3)17(9-14(15)16)23-12(2)25/h5-9,11,15H,4,10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyADIFSWRTRBIIES-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.44
Rot. Bonds4

About N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide

N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide (PubChem CID 50976661) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide
PubChem CID50976661
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide
SMILESCCc1oc2ccccc2c1C1CC(=O)Nc2cc(OC)c(NC(C)=O)cc21
InChIInChI=1S/C22H22N2O4/c1-4-18-22(13-7-5-6-8-19(13)28-18)15-10-21(26)24-16-11-20(27-3)17(9-14(15)16)23-12(2)25/h5-9,11,15H,4,10H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyADIFSWRTRBIIES-UHFFFAOYSA-N
XLogP4.44
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide with MolForge

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Related Compounds

N-[7-methoxy-4-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide
CID 171911142
N-[6-methoxy-4-[2-(2-methylprop-2-enoxy)phenyl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]acetamide
CID 50959115
N-[7-methoxy-4-(3-methylsulfanylphenyl)-2-oxo-3,4-dihydro-1H-quinolin-6-yl]propanamide
CID 169410752
N-[7-methoxy-2-oxo-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-6-yl]propanamide
CID 169416972
N-[(4R)-4-(2,1,3-benzothiadiazol-4-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]butanamide
CID 95147744
6,7-dimethoxy-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 6624972
N-[4-(2-chloro-6-fluorophenyl)-6-methoxy-2-oxo-3,4-dihydro-1H-quinolin-7-yl]-2-methoxyacetamide
CID 169416411
6,7-diethoxy-4-(2-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 3162399
methyl 2-[2-[(4S)-6-hydroxy-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-4-yl]phenoxy]acetate
CID 95122054
(4S)-4-(2-chlorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 828521
(4R)-4-(furan-2-yl)-6,7-dimethoxy-3,4-dihydro-1H-quinolin-2-one
CID 7248702
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide?
The IUPAC name of N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide (CID 50976661) is N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide.
What is the SMILES notation for N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide?
The canonical SMILES for N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide is CCc1oc2ccccc2c1C1CC(=O)Nc2cc(OC)c(NC(C)=O)cc21.
What is the InChIKey of N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide?
The InChIKey is ADIFSWRTRBIIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-4-18-22(13-7-5-6-8-19(13)28-18)15-10-21(26)24-16-11-20(27-3)17(9-14(15)16)23-12(2)25/h5-9,11,15H,4,10H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide?
N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide has a molecular weight of 378.43 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethyl-1-benzofuran-3-yl)-7-methoxy-2-oxo-3,4-dihydro-1H-quinolin-6-yl]acetamide is sourced from PubChem (CID 50976661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).