benzaldehyde;7-tert-butyl-2-(methoxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline

C24H30N2O2 — CID 143709046

About benzaldehyde;7-tert-butyl-2-(methoxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline

benzaldehyde;7-tert-butyl-2-(methoxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline (PubChem CID 143709046) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is benzaldehyde;7-tert-butyl-2-(methoxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline.

Molecular Properties

• Compound Name: benzaldehyde;7-tert-butyl-2-(methoxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline
• PubChem CID: 143709046
• Molecular Formula: C24H30N2O2
• Molecular Weight: 378.52 g/mol
• Exact Mass: 378.23
• IUPAC Name: benzaldehyde;7-tert-butyl-2-(methoxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline
• SMILES: COCc1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.O=Cc1ccccc1
• InChI: InChI=1S/C17H24N2O.C7H6O/c1-17(2,3)12-5-6-14-11(7-12)8-15-16(19-14)9-13(18-15)10-20-4;8-6-7-4-2-1-3-5-7/h8-9,12,18H,5-7,10H2,1-4H3;1-6H
• InChIKey: DOVCJOHITXETLY-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 54.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.52
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzaldehyde;7-tert-butyl-2-(methoxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline?

The IUPAC name of benzaldehyde;7-tert-butyl-2-(methoxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline (CID 143709046) is benzaldehyde;7-tert-butyl-2-(methoxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline.

What is the SMILES notation for benzaldehyde;7-tert-butyl-2-(methoxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline?

The canonical SMILES for benzaldehyde;7-tert-butyl-2-(methoxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline is COCc1cc2nc3c(cc2[nH]1)CC(C(C)(C)C)CC3.O=Cc1ccccc1.

What is the InChIKey of benzaldehyde;7-tert-butyl-2-(methoxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline?

The InChIKey is DOVCJOHITXETLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.C7H6O/c1-17(2,3)12-5-6-14-11(7-12)8-15-16(19-14)9-13(18-15)10-20-4;8-6-7-4-2-1-3-5-7/h8-9,12,18H,5-7,10H2,1-4H3;1-6H.

What are the key properties of benzaldehyde;7-tert-butyl-2-(methoxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline?

benzaldehyde;7-tert-butyl-2-(methoxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline has a molecular weight of 378.52 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for benzaldehyde;7-tert-butyl-2-(methoxymethyl)-5,6,7,8-tetrahydro-1H-pyrrolo[3,2-b]quinoline is sourced from PubChem (CID 143709046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).