16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid

C16H14N2O2 — CID 23596279

IUPAC16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid
SMILESCC1(C(=O)O)CC2c3ncccc3C1c1cccnc12
InChIInChI=1S/C16H14N2O2/c1-16(15(19)20)8-11-13-9(4-2-6-17-13)12(16)10-5-3-7-18-14(10)11/h2-7,11-12H,8H2,1H3,(H,19,20)
InChIKeyNNNIRVFEMRGFAP-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.55
Rot. Bonds1

About 16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid

16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid (PubChem CID 23596279) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid.

Molecular Properties

Compound Name16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid
PubChem CID23596279
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid
SMILESCC1(C(=O)O)CC2c3ncccc3C1c1cccnc12
InChIInChI=1S/C16H14N2O2/c1-16(15(19)20)8-11-13-9(4-2-6-17-13)12(16)10-5-3-7-18-14(10)11/h2-7,11-12H,8H2,1H3,(H,19,20)
InChIKeyNNNIRVFEMRGFAP-UHFFFAOYSA-N
XLogP2.55
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid?
The IUPAC name of 16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid (CID 23596279) is 16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid.
What is the SMILES notation for 16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid?
The canonical SMILES for 16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid is CC1(C(=O)O)CC2c3ncccc3C1c1cccnc12.
What is the InChIKey of 16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid?
The InChIKey is NNNIRVFEMRGFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-16(15(19)20)8-11-13-9(4-2-6-17-13)12(16)10-5-3-7-18-14(10)11/h2-7,11-12H,8H2,1H3,(H,19,20).
What are the key properties of 16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid?
16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-methyl-3,13-diazatetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9(14),10,12-hexaene-16-carboxylic acid is sourced from PubChem (CID 23596279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).