8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide

C21H15N3O — CID 173044237

IUPAC8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide
SMILESNC(=O)c1ccn2c1Cc1cccc(-c3cnc4ccccc4c3)c1-2
InChIInChI=1S/C21H15N3O/c22-21(25)17-8-9-24-19(17)11-14-5-3-6-16(20(14)24)15-10-13-4-1-2-7-18(13)23-12-15/h1-10,12H,11H2,(H2,22,25)
InChIKeyKBEQAIQSTBSHDQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.70
Rot. Bonds2

About 8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide

8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide (PubChem CID 173044237) has the molecular formula C21H15N3O and a molecular weight of 325.37 g/mol. Its IUPAC name is 8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide.

Molecular Properties

Compound Name8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide
PubChem CID173044237
Molecular FormulaC21H15N3O
Molecular Weight325.37 g/mol
Exact Mass325.12
IUPAC Name8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide
SMILESNC(=O)c1ccn2c1Cc1cccc(-c3cnc4ccccc4c3)c1-2
InChIInChI=1S/C21H15N3O/c22-21(25)17-8-9-24-19(17)11-14-5-3-6-16(20(14)24)15-10-13-4-1-2-7-18(13)23-12-15/h1-10,12H,11H2,(H2,22,25)
InChIKeyKBEQAIQSTBSHDQ-UHFFFAOYSA-N
XLogP3.70
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide?
The IUPAC name of 8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide (CID 173044237) is 8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide.
What is the SMILES notation for 8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide?
The canonical SMILES for 8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide is NC(=O)c1ccn2c1Cc1cccc(-c3cnc4ccccc4c3)c1-2.
What is the InChIKey of 8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide?
The InChIKey is KBEQAIQSTBSHDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O/c22-21(25)17-8-9-24-19(17)11-14-5-3-6-16(20(14)24)15-10-13-4-1-2-7-18(13)23-12-15/h1-10,12H,11H2,(H2,22,25).
What are the key properties of 8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide?
8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-quinolin-3-yl-4H-pyrrolo[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 173044237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).