methyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate

C14H18N2O4 — CID 15669877

IUPACmethyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate
SMILESCOC(=O)c1c2c(n(C)c(=O)c1N)CC(C)(C)CC2=O
InChIInChI=1S/C14H18N2O4/c1-14(2)5-7-9(8(17)6-14)10(13(19)20-4)11(15)12(18)16(7)3/h5-6,15H2,1-4H3
InChIKeyUCGMPTYJGRYNQC-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.91
Rot. Bonds1

About methyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate

methyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate (PubChem CID 15669877) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate
PubChem CID15669877
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate
SMILESCOC(=O)c1c2c(n(C)c(=O)c1N)CC(C)(C)CC2=O
InChIInChI=1S/C14H18N2O4/c1-14(2)5-7-9(8(17)6-14)10(13(19)20-4)11(15)12(18)16(7)3/h5-6,15H2,1-4H3
InChIKeyUCGMPTYJGRYNQC-UHFFFAOYSA-N
XLogP0.91
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate with MolForge

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Related Compounds

4-hydroxy-1,7,7-trimethyl-3-(2,4,6-trimethylphenyl)-6,8-dihydroquinoline-2,5-dione
CID 54708972
methyl 4,4-dimethyl-6-oxocyclohexene-1-carboxylate
CID 86157121
methyl 6-hydroxy-2,2-dimethyl-5-oxo-1,3-dihydroindolizine-8-carboxylate
CID 122633668
methyl 7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-4-carboxylate
CID 17229006
methyl 2,3-diamino-6-fluorobenzoate
CID 22464954
1-(2-methoxyphenyl)-7,7-dimethyl-6,8-dihydroquinoline-4,5-dione
CID 1382208
3-amino-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylic acid
CID 83822748
dimethyl 4-amino-3,5,6-trifluorobenzene-1,2-dicarboxylate
CID 12045796
dimethyl 1,2,6-trimethyl-4-oxopyridine-3,5-dicarboxylate
CID 164905081
sodium;hydride;methyl 4,4-dimethyl-2,6-dioxocyclohexane-1-carboxylate
CID 173414595
(1-ethoxycarbonyl-6,6-dimethyl-4-oxo-5,7-dihydroindole-3-carbonyl)azanide;tungsten
CID 59879078
methyl 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-5-oxo-6,8-dihydroquinoline-3-carboxylate
CID 21255226

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate?
The IUPAC name of methyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate (CID 15669877) is methyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate.
What is the SMILES notation for methyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate?
The canonical SMILES for methyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate is COC(=O)c1c2c(n(C)c(=O)c1N)CC(C)(C)CC2=O.
What is the InChIKey of methyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate?
The InChIKey is UCGMPTYJGRYNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(2)5-7-9(8(17)6-14)10(13(19)20-4)11(15)12(18)16(7)3/h5-6,15H2,1-4H3.
What are the key properties of methyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate?
methyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1,7,7-trimethyl-2,5-dioxo-6,8-dihydroquinoline-4-carboxylate is sourced from PubChem (CID 15669877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).