11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide

C17H15ClN6O2 — CID 172622342

IUPAC11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide
SMILESCc1c(O)ccc(Cl)c1-n1c(N)c(C(N)=O)c2cc(C)n3ncnc3c21
InChIInChI=1S/C17H15ClN6O2/c1-7-5-9-12(16(20)26)15(19)23(14(9)17-21-6-22-24(7)17)13-8(2)11(25)4-3-10(13)18/h3-6,25H,19H2,1-2H3,(H2,20,26)
InChIKeyXCZRIGMZRFTQSA-UHFFFAOYSA-N
MW370.80 g/mol
LogP2.33
Rot. Bonds2

About 11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide

11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide (PubChem CID 172622342) has the molecular formula C17H15ClN6O2 and a molecular weight of 370.80 g/mol. Its IUPAC name is 11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide.

Molecular Properties

Compound Name11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide
PubChem CID172622342
Molecular FormulaC17H15ClN6O2
Molecular Weight370.80 g/mol
Exact Mass370.09
IUPAC Name11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide
SMILESCc1c(O)ccc(Cl)c1-n1c(N)c(C(N)=O)c2cc(C)n3ncnc3c21
InChIInChI=1S/C17H15ClN6O2/c1-7-5-9-12(16(20)26)15(19)23(14(9)17-21-6-22-24(7)17)13-8(2)11(25)4-3-10(13)18/h3-6,25H,19H2,1-2H3,(H2,20,26)
InChIKeyXCZRIGMZRFTQSA-UHFFFAOYSA-N
XLogP2.33
TPSA124.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.80
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide?
The IUPAC name of 11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide (CID 172622342) is 11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide.
What is the SMILES notation for 11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide?
The canonical SMILES for 11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide is Cc1c(O)ccc(Cl)c1-n1c(N)c(C(N)=O)c2cc(C)n3ncnc3c21.
What is the InChIKey of 11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide?
The InChIKey is XCZRIGMZRFTQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O2/c1-7-5-9-12(16(20)26)15(19)23(14(9)17-21-6-22-24(7)17)13-8(2)11(25)4-3-10(13)18/h3-6,25H,19H2,1-2H3,(H2,20,26).
What are the key properties of 11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide?
11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide has a molecular weight of 370.80 g/mol, XLogP of 2.33, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide is sourced from PubChem (CID 172622342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).