1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid

C20H19NO4 — CID 3152673

IUPAC1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid
SMILESCOc1cccc2c1N1C(=O)c3c(C(=O)O)cccc3C1CC2(C)C
InChIInChI=1S/C20H19NO4/c1-20(2)10-14-11-6-4-7-12(19(23)24)16(11)18(22)21(14)17-13(20)8-5-9-15(17)25-3/h4-9,14H,10H2,1-3H3,(H,23,24)
InChIKeyXZPACUICPVWESN-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.78
Rot. Bonds2

About 1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid

1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid (PubChem CID 3152673) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid.

Molecular Properties

Compound Name1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid
PubChem CID3152673
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid
SMILESCOc1cccc2c1N1C(=O)c3c(C(=O)O)cccc3C1CC2(C)C
InChIInChI=1S/C20H19NO4/c1-20(2)10-14-11-6-4-7-12(19(23)24)16(11)18(22)21(14)17-13(20)8-5-9-15(17)25-3/h4-9,14H,10H2,1-3H3,(H,23,24)
InChIKeyXZPACUICPVWESN-UHFFFAOYSA-N
XLogP3.78
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid with MolForge

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Related Compounds

1-Allyl-2-(3-methoxyphenyl)-3-oxo-4-isoindolinecarboxylic acid
CID 2943611
2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxylic acid
CID 5309875
5-Butyl-4,8-dimethoxy-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenanthridin-6-one
CID 52920926
5-Butyl-4-methoxy-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenanthridin-6-one
CID 54582227
3-[(3aS,4R,9bR)-6-ethoxy-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]benzoic acid
CID 164673710
Methyl 2-[(1R,9R,12R,19R)-8-acetyl-6-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-yl]acetate
CID 12312873
3-[(3aS,4R,9bR)-5-acetyl-6-ethoxy-3,3a,4,9b-tetrahydrocyclopenta[c]quinolin-4-yl]benzoic acid
CID 168285582
methyl 2-[(1S,9S,12S,19S)-6-methoxy-8-propanoyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-yl]acetate
CID 162922436
methyl 2-[(1R,9R,12S,19R)-6-methoxy-8-propanoyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5-trien-12-yl]acetate
CID 162922437
2-(4-methoxyphenyl)-3-oxo-1-prop-2-enyl-1H-isoindole-4-carboxylic acid
CID 4521561
(1~{s})-2-(3-Methoxyphenyl)-3-Oxidanylidene-1-Prop-2-Enyl-1~{h}-Isoindole-4-Carboxylic Acid
CID 756112
Cylindrocarpidine
CID 597912

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid?
The IUPAC name of 1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid (CID 3152673) is 1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid.
What is the SMILES notation for 1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid?
The canonical SMILES for 1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid is COc1cccc2c1N1C(=O)c3c(C(=O)O)cccc3C1CC2(C)C.
What is the InChIKey of 1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid?
The InChIKey is XZPACUICPVWESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-20(2)10-14-11-6-4-7-12(19(23)24)16(11)18(22)21(14)17-13(20)8-5-9-15(17)25-3/h4-9,14H,10H2,1-3H3,(H,23,24).
What are the key properties of 1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid?
1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid has a molecular weight of 337.38 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-5,5-dimethyl-11-oxo-6,6a-dihydroisoindolo[2,1-a]quinoline-10-carboxylic acid is sourced from PubChem (CID 3152673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).