(1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid

C18H14N2O4 — CID 119078039

IUPAC(1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid
SMILESCC1=C(C)/N=c2/cc(C(=O)O)cc/c2=c2\ccc(C(=O)O)c\c2=N\1
InChIInChI=1S/C18H14N2O4/c1-9-10(2)20-16-8-12(18(23)24)4-6-14(16)13-5-3-11(17(21)22)7-15(13)19-9/h3-8H,1-2H3,(H,21,22)(H,23,24)/b10-9-,14-13-,19-9-,19-15-,20-10-,20-16-
InChIKeyCYZHQHIGGYHVQB-MPBIFBAZSA-N
MW322.32 g/mol
LogP1.87
Rot. Bonds2

About (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid

(1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid (PubChem CID 119078039) has the molecular formula C18H14N2O4 and a molecular weight of 322.32 g/mol. Its IUPAC name is (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid.

Molecular Properties

Compound Name(1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid
PubChem CID119078039
Molecular FormulaC18H14N2O4
Molecular Weight322.32 g/mol
Exact Mass322.10
IUPAC Name(1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid
SMILESCC1=C(C)/N=c2/cc(C(=O)O)cc/c2=c2\ccc(C(=O)O)c\c2=N\1
InChIInChI=1S/C18H14N2O4/c1-9-10(2)20-16-8-12(18(23)24)4-6-14(16)13-5-3-11(17(21)22)7-15(13)19-9/h3-8H,1-2H3,(H,21,22)(H,23,24)/b10-9-,14-13-,19-9-,19-15-,20-10-,20-16-
InChIKeyCYZHQHIGGYHVQB-MPBIFBAZSA-N
XLogP1.87
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid?
The IUPAC name of (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid (CID 119078039) is (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid.
What is the SMILES notation for (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid?
The canonical SMILES for (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid is CC1=C(C)/N=c2/cc(C(=O)O)cc/c2=c2\ccc(C(=O)O)c\c2=N\1.
What is the InChIKey of (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid?
The InChIKey is CYZHQHIGGYHVQB-MPBIFBAZSA-N. The full InChI is InChI=1S/C18H14N2O4/c1-9-10(2)20-16-8-12(18(23)24)4-6-14(16)13-5-3-11(17(21)22)7-15(13)19-9/h3-8H,1-2H3,(H,21,22)(H,23,24)/b10-9-,14-13-,19-9-,19-15-,20-10-,20-16-.
What are the key properties of (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid?
(1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid has a molecular weight of 322.32 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,9Z)-9,10-dimethyl-8,11-diazatricyclo[10.4.0.02,7]hexadeca-1,3,5,7,9,11,13,15-octaene-5,14-dicarboxylic acid is sourced from PubChem (CID 119078039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).