9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C25H26N4O — CID 172623284

IUPAC9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCNc1cc2ccc(CNC(=O)c3ccc4c(c3)c3c(n4C)CCCC3)cc2cn1
InChIInChI=1S/C25H26N4O/c1-26-24-13-17-8-7-16(11-19(17)15-27-24)14-28-25(30)18-9-10-23-21(12-18)20-5-3-4-6-22(20)29(23)2/h7-13,15H,3-6,14H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyUPPIOXGTCDZCKB-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.58
Rot. Bonds4

About 9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide

9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 172623284) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound Name9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID172623284
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCNc1cc2ccc(CNC(=O)c3ccc4c(c3)c3c(n4C)CCCC3)cc2cn1
InChIInChI=1S/C25H26N4O/c1-26-24-13-17-8-7-16(11-19(17)15-27-24)14-28-25(30)18-9-10-23-21(12-18)20-5-3-4-6-22(20)29(23)2/h7-13,15H,3-6,14H2,1-2H3,(H,26,27)(H,28,30)
InChIKeyUPPIOXGTCDZCKB-UHFFFAOYSA-N
XLogP4.58
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of 9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 172623284) is 9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for 9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for 9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide is CNc1cc2ccc(CNC(=O)c3ccc4c(c3)c3c(n4C)CCCC3)cc2cn1.
What is the InChIKey of 9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is UPPIOXGTCDZCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-26-24-13-17-8-7-16(11-19(17)15-27-24)14-28-25(30)18-9-10-23-21(12-18)20-5-3-4-6-22(20)29(23)2/h7-13,15H,3-6,14H2,1-2H3,(H,26,27)(H,28,30).
What are the key properties of 9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 398.51 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-N-[[3-(methylamino)isoquinolin-7-yl]methyl]-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 172623284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).