1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile

C22H17N3O2 — CID 15380328

IUPAC1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile
SMILESCC(=O)n1cc(C)c2c1-c1ccccc1N(C(=O)c1ccccc1)C2C#N
InChIInChI=1S/C22H17N3O2/c1-14-13-24(15(2)26)21-17-10-6-7-11-18(17)25(19(12-23)20(14)21)22(27)16-8-4-3-5-9-16/h3-11,13,19H,1-2H3
InChIKeyRNVBQKZMBXPTAA-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.35
Rot. Bonds1

About 1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile

1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile (PubChem CID 15380328) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile.

Molecular Properties

Compound Name1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile
PubChem CID15380328
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile
SMILESCC(=O)n1cc(C)c2c1-c1ccccc1N(C(=O)c1ccccc1)C2C#N
InChIInChI=1S/C22H17N3O2/c1-14-13-24(15(2)26)21-17-10-6-7-11-18(17)25(19(12-23)20(14)21)22(27)16-8-4-3-5-9-16/h3-11,13,19H,1-2H3
InChIKeyRNVBQKZMBXPTAA-UHFFFAOYSA-N
XLogP4.35
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile?
The IUPAC name of 1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile (CID 15380328) is 1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile.
What is the SMILES notation for 1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile?
The canonical SMILES for 1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile is CC(=O)n1cc(C)c2c1-c1ccccc1N(C(=O)c1ccccc1)C2C#N.
What is the InChIKey of 1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile?
The InChIKey is RNVBQKZMBXPTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c1-14-13-24(15(2)26)21-17-10-6-7-11-18(17)25(19(12-23)20(14)21)22(27)16-8-4-3-5-9-16/h3-11,13,19H,1-2H3.
What are the key properties of 1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile?
1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile has a molecular weight of 355.40 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-benzoyl-3-methyl-4H-pyrrolo[3,2-c]quinoline-4-carbonitrile is sourced from PubChem (CID 15380328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).