3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide

C22H20N4O — CID 54207717

IUPAC3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide
SMILESCc1cc(NC(=O)N2CCc3c2ccc2c3ccn2C)c2ccccc2n1
InChIInChI=1S/C22H20N4O/c1-14-13-19(17-5-3-4-6-18(17)23-14)24-22(27)26-12-10-16-15-9-11-25(2)20(15)7-8-21(16)26/h3-9,11,13H,10,12H2,1-2H3,(H,23,24,27)
InChIKeyPTSBGLQTHXMYEO-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.63
Rot. Bonds1

About 3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide

3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide (PubChem CID 54207717) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide
PubChem CID54207717
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide
SMILESCc1cc(NC(=O)N2CCc3c2ccc2c3ccn2C)c2ccccc2n1
InChIInChI=1S/C22H20N4O/c1-14-13-19(17-5-3-4-6-18(17)23-14)24-22(27)26-12-10-16-15-9-11-25(2)20(15)7-8-21(16)26/h3-9,11,13H,10,12H2,1-2H3,(H,23,24,27)
InChIKeyPTSBGLQTHXMYEO-UHFFFAOYSA-N
XLogP4.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide?
The IUPAC name of 3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide (CID 54207717) is 3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide.
What is the SMILES notation for 3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide?
The canonical SMILES for 3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide is Cc1cc(NC(=O)N2CCc3c2ccc2c3ccn2C)c2ccccc2n1.
What is the InChIKey of 3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide?
The InChIKey is PTSBGLQTHXMYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-14-13-19(17-5-3-4-6-18(17)23-14)24-22(27)26-12-10-16-15-9-11-25(2)20(15)7-8-21(16)26/h3-9,11,13H,10,12H2,1-2H3,(H,23,24,27).
What are the key properties of 3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide?
3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylquinolin-4-yl)-7,8-dihydropyrrolo[3,2-e]indole-6-carboxamide is sourced from PubChem (CID 54207717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).