N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide

C24H25N3O2 — CID 166220279

IUPACN-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide
SMILESCN1CCc2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)cc2C1=O
InChIInChI=1S/C24H25N3O2/c1-27-12-11-15-7-9-17(14-19(15)24(27)29)25-23(28)16-8-10-22-20(13-16)18-5-3-2-4-6-21(18)26-22/h7-10,13-14,26H,2-6,11-12H2,1H3,(H,25,28)
InChIKeyKPWGUKLKFNAQFJ-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.32
Rot. Bonds2

About N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide

N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide (PubChem CID 166220279) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide.

Molecular Properties

Compound NameN-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide
PubChem CID166220279
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide
SMILESCN1CCc2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)cc2C1=O
InChIInChI=1S/C24H25N3O2/c1-27-12-11-15-7-9-17(14-19(15)24(27)29)25-23(28)16-8-10-22-20(13-16)18-5-3-2-4-6-21(18)26-22/h7-10,13-14,26H,2-6,11-12H2,1H3,(H,25,28)
InChIKeyKPWGUKLKFNAQFJ-UHFFFAOYSA-N
XLogP4.32
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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ethane;molecular hydrogen;N-(2-piperidin-1-ylethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
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N-(4-methyl-2-pyridinyl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide?
The IUPAC name of N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide (CID 166220279) is N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide.
What is the SMILES notation for N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide?
The canonical SMILES for N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide is CN1CCc2ccc(NC(=O)c3ccc4[nH]c5c(c4c3)CCCCC5)cc2C1=O.
What is the InChIKey of N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide?
The InChIKey is KPWGUKLKFNAQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-27-12-11-15-7-9-17(14-19(15)24(27)29)25-23(28)16-8-10-22-20(13-16)18-5-3-2-4-6-21(18)26-22/h7-10,13-14,26H,2-6,11-12H2,1H3,(H,25,28).
What are the key properties of N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide?
N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-5,6,7,8,9,10-hexahydrocyclohepta[b]indole-2-carboxamide is sourced from PubChem (CID 166220279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).