(7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C22H20N2O6 — CID 95059052

IUPAC(7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccco2)CC3=O)cc(OC)c1
InChIInChI=1S/C22H20N2O6/c1-28-14-8-13(9-15(10-14)29-2)23-21(26)17-11-16-18(24-22(17)27)6-12(7-19(16)25)20-4-3-5-30-20/h3-5,8-12H,6-7H2,1-2H3,(H,23,26)(H,24,27)/t12-/m1/s1
InChIKeyKZKOWGNCQBNINM-GFCCVEGCSA-N
MW408.41 g/mol
LogP3.15
Rot. Bonds5

About (7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

(7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 95059052) has the molecular formula C22H20N2O6 and a molecular weight of 408.41 g/mol. Its IUPAC name is (7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name(7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID95059052
Molecular FormulaC22H20N2O6
Molecular Weight408.41 g/mol
Exact Mass408.13
IUPAC Name(7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCOc1cc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccco2)CC3=O)cc(OC)c1
InChIInChI=1S/C22H20N2O6/c1-28-14-8-13(9-15(10-14)29-2)23-21(26)17-11-16-18(24-22(17)27)6-12(7-19(16)25)20-4-3-5-30-20/h3-5,8-12H,6-7H2,1-2H3,(H,23,26)(H,24,27)/t12-/m1/s1
InChIKeyKZKOWGNCQBNINM-GFCCVEGCSA-N
XLogP3.15
TPSA110.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53043652
N-(4-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086134
(7R)-7-(furan-2-yl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 29159336
(7R)-N-(3,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059046
(7S)-7-(furan-2-yl)-2,5-dioxo-N-propan-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95396798
(7S)-N-(3-fluorophenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073923
2-[4-[[(7S)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonyl]amino]phenyl]acetic acid
CID 95059054
N-(2,4-dimethylphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086153
(7S)-N-(2,5-dimethylphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073950
7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53043613
N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 22426392
(7R)-N-(2,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059004

Frequently Asked Questions

What is the IUPAC name of (7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of (7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 95059052) is (7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for (7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for (7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is COc1cc(NC(=O)c2cc3c([nH]c2=O)C[C@@H](c2ccco2)CC3=O)cc(OC)c1.
What is the InChIKey of (7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is KZKOWGNCQBNINM-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H20N2O6/c1-28-14-8-13(9-15(10-14)29-2)23-21(26)17-11-16-18(24-22(17)27)6-12(7-19(16)25)20-4-3-5-30-20/h3-5,8-12H,6-7H2,1-2H3,(H,23,26)(H,24,27)/t12-/m1/s1.
What are the key properties of (7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
(7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 408.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-N-(3,5-dimethoxyphenyl)-7-(furan-2-yl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 95059052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).