8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid

C19H24N2O5 — CID 167146940

IUPAC8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid
SMILESCOc1c2n(cc(C(=O)O)c1=O)CC1C(CCC3CCCCN1C3)C2=O
InChIInChI=1S/C19H24N2O5/c1-26-18-15-16(22)12-6-5-11-4-2-3-7-20(8-11)14(12)10-21(15)9-13(17(18)23)19(24)25/h9,11-12,14H,2-8,10H2,1H3,(H,24,25)
InChIKeyJKMKNUQVIQDVFK-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.63
Rot. Bonds2

About 8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid

8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid (PubChem CID 167146940) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid.

Molecular Properties

Compound Name8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid
PubChem CID167146940
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid
SMILESCOc1c2n(cc(C(=O)O)c1=O)CC1C(CCC3CCCCN1C3)C2=O
InChIInChI=1S/C19H24N2O5/c1-26-18-15-16(22)12-6-5-11-4-2-3-7-20(8-11)14(12)10-21(15)9-13(17(18)23)19(24)25/h9,11-12,14H,2-8,10H2,1H3,(H,24,25)
InChIKeyJKMKNUQVIQDVFK-UHFFFAOYSA-N
XLogP1.63
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,6R)-10-methoxy-7-methyl-8,11-dioxo-1,7-diazatricyclo[7.4.0.02,6]trideca-9,12-diene-12-carboxylic acid
CID 121422051
(10R,12S,15R)-4-methoxy-12,15-dimethyl-2,5-dioxo-11-oxa-1,8-diazatricyclo[8.5.0.03,8]pentadeca-3,6-diene-6-carboxylic acid
CID 142496585
(2S,4S,7R)-11-methoxy-8-methyl-9,12-dioxo-1,8-diazatetracyclo[8.4.0.02,7.04,6]tetradeca-10,13-diene-13-carboxylic acid
CID 138599676
(3S)-9-methoxy-3-methyl-1,8-dioxo-2-[(2R)-pentan-2-yl]-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 90362429
(1S,5R,9R)-13-methoxy-9-methyl-11,14-dioxo-6-oxa-10,17-diazatetracyclo[8.7.1.05,18.012,17]octadeca-12,15-diene-15-carboxylic acid
CID 163977804
(4aS,11aS)-5-methyl-6,8-dioxo-7-phenylmethoxy-1,2,3,4,4a,11a-hexahydropyrido[1,2-a]quinoxaline-9-carboxylic acid
CID 121422043
9-methoxy-1,8-dioxo-2-(2,2,2-trifluoroethyl)-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid;methoxyethane
CID 145112117
7-fluoro-1-(2-fluorocyclopropyl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
CID 23507775
ethane;(10R,15S)-4-methoxy-6-(3-phenylpropanoyl)-1,8,11-triazatetracyclo[8.6.0.03,8.011,15]hexadeca-3,6-diene-2,5-dione
CID 159232495
1-azabicyclo[4.2.0]octane-7-carboxylic acid
CID 82651829
(3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(4-methoxyphenyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 164671627
(3R)-3-(cyclohexylcarbamoyl)-9-hydroxy-2-(2-methoxy-2-oxoethyl)-1,8-dioxo-3,4-dihydropyrido[1,2-a]pyrazine-7-carboxylic acid
CID 164671643

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid?
The IUPAC name of 8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid (CID 167146940) is 8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid.
What is the SMILES notation for 8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid?
The canonical SMILES for 8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid is COc1c2n(cc(C(=O)O)c1=O)CC1C(CCC3CCCCN1C3)C2=O.
What is the InChIKey of 8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid?
The InChIKey is JKMKNUQVIQDVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-26-18-15-16(22)12-6-5-11-4-2-3-7-20(8-11)14(12)10-21(15)9-13(17(18)23)19(24)25/h9,11-12,14H,2-8,10H2,1H3,(H,24,25).
What are the key properties of 8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid?
8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid has a molecular weight of 360.41 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-7,10-dioxo-1,4-diazatetracyclo[12.4.1.02,11.04,9]nonadeca-5,8-diene-6-carboxylic acid is sourced from PubChem (CID 167146940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).