(7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid

C19H19NO7 — CID 42582251

IUPAC(7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCOc1cc([C@H]2CC(=O)c3cc(C(=O)O)c(=O)[nH]c3C2)cc(OC)c1OC
InChIInChI=1S/C19H19NO7/c1-25-15-6-10(7-16(26-2)17(15)27-3)9-4-13-11(14(21)5-9)8-12(19(23)24)18(22)20-13/h6-9H,4-5H2,1-3H3,(H,20,22)(H,23,24)/t9-/m1/s1
InChIKeyCMKSIMVJKNDLRP-SECBINFHSA-N
MW373.36 g/mol
LogP2.01
Rot. Bonds5

About (7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid

(7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 42582251) has the molecular formula C19H19NO7 and a molecular weight of 373.36 g/mol. Its IUPAC name is (7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name(7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID42582251
Molecular FormulaC19H19NO7
Molecular Weight373.36 g/mol
Exact Mass373.12
IUPAC Name(7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCOc1cc([C@H]2CC(=O)c3cc(C(=O)O)c(=O)[nH]c3C2)cc(OC)c1OC
InChIInChI=1S/C19H19NO7/c1-25-15-6-10(7-16(26-2)17(15)27-3)9-4-13-11(14(21)5-9)8-12(19(23)24)18(22)20-13/h6-9H,4-5H2,1-3H3,(H,20,22)(H,23,24)/t9-/m1/s1
InChIKeyCMKSIMVJKNDLRP-SECBINFHSA-N
XLogP2.01
TPSA114.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid with MolForge

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Related Compounds

ethyl 2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 17228885
2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 17036315
ethyl (7R)-7-(3,4-dimethoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 29102064
methyl 2,5-dioxo-7-(2,3,4-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 71668708
(7R)-N-(2,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059004
(7S)-7-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073913
(7R)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 51902313
(7R)-N-(3,5-dimethoxyphenyl)-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95059046
(7S)-2,5-dioxo-7-thiophen-2-yl-1,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 40900592
methyl 2,5-dioxo-7-(4-propan-2-ylphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylate
CID 17036302
(7S)-N-benzyl-7-(4-methoxyphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 95073868
N,N-diethyl-2,5-dioxo-7-phenyl-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495470

Frequently Asked Questions

What is the IUPAC name of (7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of (7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 42582251) is (7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for (7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for (7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid is COc1cc([C@H]2CC(=O)c3cc(C(=O)O)c(=O)[nH]c3C2)cc(OC)c1OC.
What is the InChIKey of (7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is CMKSIMVJKNDLRP-SECBINFHSA-N. The full InChI is InChI=1S/C19H19NO7/c1-25-15-6-10(7-16(26-2)17(15)27-3)9-4-13-11(14(21)5-9)8-12(19(23)24)18(22)20-13/h6-9H,4-5H2,1-3H3,(H,20,22)(H,23,24)/t9-/m1/s1.
What are the key properties of (7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid?
(7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 373.36 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2,5-dioxo-7-(3,4,5-trimethoxyphenyl)-1,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 42582251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).