(7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

C26H26N2O5 — CID 95073913

IUPAC(7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCOc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4c(C)cccc4C)c(=O)[nH]c3C2)cc1OC
InChIInChI=1S/C26H26N2O5/c1-14-6-5-7-15(2)24(14)28-26(31)19-13-18-20(27-25(19)30)10-17(11-21(18)29)16-8-9-22(32-3)23(12-16)33-4/h5-9,12-13,17H,10-11H2,1-4H3,(H,27,30)(H,28,31)/t17-/m0/s1
InChIKeyKUTYUVVFUWXDGH-KRWDZBQOSA-N
MW446.50 g/mol
LogP4.17
Rot. Bonds5

About (7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide

(7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 95073913) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is (7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name(7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID95073913
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name(7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESCOc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4c(C)cccc4C)c(=O)[nH]c3C2)cc1OC
InChIInChI=1S/C26H26N2O5/c1-14-6-5-7-15(2)24(14)28-26(31)19-13-18-20(27-25(19)30)10-17(11-21(18)29)16-8-9-22(32-3)23(12-16)33-4/h5-9,12-13,17H,10-11H2,1-4H3,(H,27,30)(H,28,31)/t17-/m0/s1
InChIKeyKUTYUVVFUWXDGH-KRWDZBQOSA-N
XLogP4.17
TPSA97.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide with MolForge

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Related Compounds

ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 29102064
N-(2-methylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53086082
(7R)-N-(2,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059004
7-(4-methoxyphenyl)-N-(4-methylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 53043613
(7R)-N-(3,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059046
methyl 2-[[7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carbonyl]amino]benzoate
CID 53086104
(7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 42582251
N-(4-ethylphenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 22426392
(7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073868
methyl 2,5-dioxo-7-(2,3,4-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 71668708
(7S)-N-(2-ethylphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073815
ethyl 2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 17228885

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of (7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide (CID 95073913) is (7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for (7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for (7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is COc1ccc([C@@H]2CC(=O)c3cc(C(=O)Nc4c(C)cccc4C)c(=O)[nH]c3C2)cc1OC.
What is the InChIKey of (7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is KUTYUVVFUWXDGH-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-14-6-5-7-15(2)24(14)28-26(31)19-13-18-20(27-25(19)30)10-17(11-21(18)29)16-8-9-22(32-3)23(12-16)33-4/h5-9,12-13,17H,10-11H2,1-4H3,(H,27,30)(H,28,31)/t17-/m0/s1.
What are the key properties of (7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide?
(7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 446.50 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 95073913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).