dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate

C22H24N2O7 — CID 3161003

IUPACdimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(C(=O)OC)c1
InChIInChI=1S/C22H24N2O7/c1-22(2)9-15-18(16(25)10-22)14(8-17(26)24-15)19(27)23-13-6-11(20(28)30-3)5-12(7-13)21(29)31-4/h5-7,14H,8-10H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyGRHLNUWLKKOVSW-UHFFFAOYSA-N
MW428.44 g/mol
LogP1.98
Rot. Bonds4

About dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate (PubChem CID 3161003) has the molecular formula C22H24N2O7 and a molecular weight of 428.44 g/mol. Its IUPAC name is dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
PubChem CID3161003
Molecular FormulaC22H24N2O7
Molecular Weight428.44 g/mol
Exact Mass428.16
IUPAC Namedimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(NC(=O)C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(C(=O)OC)c1
InChIInChI=1S/C22H24N2O7/c1-22(2)9-15-18(16(25)10-22)14(8-17(26)24-15)19(27)23-13-6-11(20(28)30-3)5-12(7-13)21(29)31-4/h5-7,14H,8-10H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyGRHLNUWLKKOVSW-UHFFFAOYSA-N
XLogP1.98
TPSA127.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate with MolForge

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Launch Full Analysis

Related Compounds

(4R)-N-(3,5-dichlorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
CID 7247833
(4S)-N-(4-acetamidophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
CID 7248030
(4S)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
CID 7394512
(4R)-N-(4-fluorophenyl)-7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carboxamide
CID 7394509
methyl (4S)-4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 1091167
dimethyl 5-[[(5S)-4,7-dioxo-2-pyrrolidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-5-carbonyl]amino]benzene-1,3-dicarboxylate
CID 135937709
dimethyl 5-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzene-1,3-dicarboxylate
CID 4100244
methyl (4S)-4-[(3,5-dichlorophenyl)carbamoyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
CID 7357293
dimethyl 5-[(4-amino-7-oxo-2-piperidin-1-yl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 17036181
ethyl 4-(4-methoxycarbonylphenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 2846766
(4R,7S)-7-(4-methoxyphenyl)-N-(3-methylphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
CID 7354467
N-(4-chlorophenyl)-7-(4-methoxyphenyl)-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-4-carboxamide
CID 4902647

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate (CID 3161003) is dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate is COC(=O)c1cc(NC(=O)C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is GRHLNUWLKKOVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O7/c1-22(2)9-15-18(16(25)10-22)14(8-17(26)24-15)19(27)23-13-6-11(20(28)30-3)5-12(7-13)21(29)31-4/h5-7,14H,8-10H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 428.44 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(7,7-dimethyl-2,5-dioxo-3,4,6,8-tetrahydro-1H-quinoline-4-carbonyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 3161003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).