6-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline

C16H20N2 — CID 84629808

IUPAC6-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline
SMILESCC1Cc2cc3cc(C(C)(C)C)ccc3nc2N1
InChIInChI=1S/C16H20N2/c1-10-7-12-8-11-9-13(16(2,3)4)5-6-14(11)18-15(12)17-10/h5-6,8-10H,7H2,1-4H3,(H,17,18)
InChIKeyZGJUMSSHIZRJJF-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.89
Rot. Bonds

About 6-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline

6-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline (PubChem CID 84629808) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 6-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline.

Molecular Properties

Compound Name6-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline
PubChem CID84629808
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name6-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline
SMILESCC1Cc2cc3cc(C(C)(C)C)ccc3nc2N1
InChIInChI=1S/C16H20N2/c1-10-7-12-8-11-9-13(16(2,3)4)5-6-14(11)18-15(12)17-10/h5-6,8-10H,7H2,1-4H3,(H,17,18)
InChIKeyZGJUMSSHIZRJJF-UHFFFAOYSA-N
XLogP3.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline?
The IUPAC name of 6-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline (CID 84629808) is 6-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline.
What is the SMILES notation for 6-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline?
The canonical SMILES for 6-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline is CC1Cc2cc3cc(C(C)(C)C)ccc3nc2N1.
What is the InChIKey of 6-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline?
The InChIKey is ZGJUMSSHIZRJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-10-7-12-8-11-9-13(16(2,3)4)5-6-14(11)18-15(12)17-10/h5-6,8-10H,7H2,1-4H3,(H,17,18).
What are the key properties of 6-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline?
6-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline has a molecular weight of 240.35 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinoline is sourced from PubChem (CID 84629808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).