methyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

C24H23NO5 — CID 7177618

IUPACmethyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
SMILESCOC(=O)C1C(C)=NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc2c(c1)CCO2
InChIInChI=1S/C24H23NO5/c1-13-21(24(27)28-2)22(15-5-6-20-14(10-15)7-9-30-20)23-17(25-13)11-16(12-18(23)26)19-4-3-8-29-19/h3-6,8,10,16,21-22H,7,9,11-12H2,1-2H3/t16-,21?,22+/m1/s1
InChIKeyQCLOJXUIJYTXEI-OBLXYAIXSA-N
MW405.45 g/mol
LogP3.96
Rot. Bonds3

About methyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate

methyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate (PubChem CID 7177618) has the molecular formula C24H23NO5 and a molecular weight of 405.45 g/mol. Its IUPAC name is methyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
PubChem CID7177618
Molecular FormulaC24H23NO5
Molecular Weight405.45 g/mol
Exact Mass405.16
IUPAC Namemethyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
SMILESCOC(=O)C1C(C)=NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc2c(c1)CCO2
InChIInChI=1S/C24H23NO5/c1-13-21(24(27)28-2)22(15-5-6-20-14(10-15)7-9-30-20)23-17(25-13)11-16(12-18(23)26)19-4-3-8-29-19/h3-6,8,10,16,21-22H,7,9,11-12H2,1-2H3/t16-,21?,22+/m1/s1
InChIKeyQCLOJXUIJYTXEI-OBLXYAIXSA-N
XLogP3.96
TPSA78.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate with MolForge

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Related Compounds

methyl (4R,7S)-4-(1,3-benzodioxol-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7177576
methyl (4S,7S)-4-(1,3-benzodioxol-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7177579
methyl (4S,7R)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6968617
methyl (4S,7S)-4-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-7-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6968619
ethyl (4S,7S)-7-(furan-2-yl)-2-methyl-5-oxo-4-thiophen-2-yl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7449131
methyl (4S,7R)-4,7-bis(4-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6968776
methyl (4R,7R)-7-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6967779
methyl (4S,7R)-7-(3,4-dimethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7894920
methyl (4S,7R)-7-(4-chlorophenyl)-2-methyl-5-oxo-4-phenyl-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7089859
methyl (4S,7R)-4-(3-bromophenyl)-7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7897920
ethyl (4R,7S)-4-(2-chlorophenyl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 7449125
methyl (4S,7S)-7-(2-chlorophenyl)-4-(4-chlorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate
CID 6982274

Frequently Asked Questions

What is the IUPAC name of methyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
The IUPAC name of methyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate (CID 7177618) is methyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate.
What is the SMILES notation for methyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
The canonical SMILES for methyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate is COC(=O)C1C(C)=NC2=C(C(=O)C[C@H](c3ccco3)C2)[C@H]1c1ccc2c(c1)CCO2.
What is the InChIKey of methyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
The InChIKey is QCLOJXUIJYTXEI-OBLXYAIXSA-N. The full InChI is InChI=1S/C24H23NO5/c1-13-21(24(27)28-2)22(15-5-6-20-14(10-15)7-9-30-20)23-17(25-13)11-16(12-18(23)26)19-4-3-8-29-19/h3-6,8,10,16,21-22H,7,9,11-12H2,1-2H3/t16-,21?,22+/m1/s1.
What are the key properties of methyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate?
methyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate has a molecular weight of 405.45 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,7R)-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(furan-2-yl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-3H-quinoline-3-carboxylate is sourced from PubChem (CID 7177618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).