7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide

C21H24N4O2 — CID 89094332

IUPAC7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
SMILESCC(C)(C)C1CCc2nc3cc(C(=O)Nc4c[nH]c(C=O)c4)[nH]c3cc2C1
InChIInChI=1S/C21H24N4O2/c1-21(2,3)13-4-5-16-12(6-13)7-17-18(24-16)9-19(25-17)20(27)23-14-8-15(11-26)22-10-14/h7-11,13,22,25H,4-6H2,1-3H3,(H,23,27)
InChIKeyAOAXARTUODOMFC-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.11
Rot. Bonds3

About 7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide

7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide (PubChem CID 89094332) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
PubChem CID89094332
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide
SMILESCC(C)(C)C1CCc2nc3cc(C(=O)Nc4c[nH]c(C=O)c4)[nH]c3cc2C1
InChIInChI=1S/C21H24N4O2/c1-21(2,3)13-4-5-16-12(6-13)7-17-18(24-16)9-19(25-17)20(27)23-14-8-15(11-26)22-10-14/h7-11,13,22,25H,4-6H2,1-3H3,(H,23,27)
InChIKeyAOAXARTUODOMFC-UHFFFAOYSA-N
XLogP4.11
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
The IUPAC name of 7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide (CID 89094332) is 7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide.
What is the SMILES notation for 7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
The canonical SMILES for 7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide is CC(C)(C)C1CCc2nc3cc(C(=O)Nc4c[nH]c(C=O)c4)[nH]c3cc2C1.
What is the InChIKey of 7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
The InChIKey is AOAXARTUODOMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-21(2,3)13-4-5-16-12(6-13)7-17-18(24-16)9-19(25-17)20(27)23-14-8-15(11-26)22-10-14/h7-11,13,22,25H,4-6H2,1-3H3,(H,23,27).
What are the key properties of 7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide?
7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-N-(5-formyl-1H-pyrrol-3-yl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline-2-carboxamide is sourced from PubChem (CID 89094332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).