13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid

C19H23N3O4 — CID 71285296

IUPAC13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid
SMILESCN(C)CCNc1ccc2c(c1)CCCc1c-2[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C19H23N3O4/c1-22(2)9-8-20-12-6-7-13-11(10-12)4-3-5-14-16(13)21-18(24)15(17(14)23)19(25)26/h6-7,10,20H,3-5,8-9H2,1-2H3,(H,25,26)(H2,21,23,24)
InChIKeyYTCSKXLZKPJOGN-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.91
Rot. Bonds5

About 13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid

13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid (PubChem CID 71285296) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid.

Molecular Properties

Compound Name13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid
PubChem CID71285296
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid
SMILESCN(C)CCNc1ccc2c(c1)CCCc1c-2[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C19H23N3O4/c1-22(2)9-8-20-12-6-7-13-11(10-12)4-3-5-14-16(13)21-18(24)15(17(14)23)19(25)26/h6-7,10,20H,3-5,8-9H2,1-2H3,(H,25,26)(H2,21,23,24)
InChIKeyYTCSKXLZKPJOGN-UHFFFAOYSA-N
XLogP1.91
TPSA105.66 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid?
The IUPAC name of 13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid (CID 71285296) is 13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid.
What is the SMILES notation for 13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid?
The canonical SMILES for 13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid is CN(C)CCNc1ccc2c(c1)CCCc1c-2[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid?
The InChIKey is YTCSKXLZKPJOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-22(2)9-8-20-12-6-7-13-11(10-12)4-3-5-14-16(13)21-18(24)15(17(14)23)19(25)26/h6-7,10,20H,3-5,8-9H2,1-2H3,(H,25,26)(H2,21,23,24).
What are the key properties of 13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid?
13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-[2-(dimethylamino)ethylamino]-6-hydroxy-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carboxylic acid is sourced from PubChem (CID 71285296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).