4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide

C20H19N3O — CID 2991183

IUPAC4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
SMILESCc1ccc(C(=O)NN2CCc3cc4ccc(C)cc4nc32)cc1
InChIInChI=1S/C20H19N3O/c1-13-3-6-15(7-4-13)20(24)22-23-10-9-17-12-16-8-5-14(2)11-18(16)21-19(17)23/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyBPGISOZIIXSTKL-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.56
Rot. Bonds2

About 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide

4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide (PubChem CID 2991183) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide.

Molecular Properties

Compound Name4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
PubChem CID2991183
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
SMILESCc1ccc(C(=O)NN2CCc3cc4ccc(C)cc4nc32)cc1
InChIInChI=1S/C20H19N3O/c1-13-3-6-15(7-4-13)20(24)22-23-10-9-17-12-16-8-5-14(2)11-18(16)21-19(17)23/h3-8,11-12H,9-10H2,1-2H3,(H,22,24)
InChIKeyBPGISOZIIXSTKL-UHFFFAOYSA-N
XLogP3.56
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?
The IUPAC name of 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide (CID 2991183) is 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide.
What is the SMILES notation for 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?
The canonical SMILES for 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide is Cc1ccc(C(=O)NN2CCc3cc4ccc(C)cc4nc32)cc1.
What is the InChIKey of 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?
The InChIKey is BPGISOZIIXSTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O/c1-13-3-6-15(7-4-13)20(24)22-23-10-9-17-12-16-8-5-14(2)11-18(16)21-19(17)23/h3-8,11-12H,9-10H2,1-2H3,(H,22,24).
What are the key properties of 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide?
4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide has a molecular weight of 317.39 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide is sourced from PubChem (CID 2991183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).