quinoline;2,3,3-trimethyl-1-propan-2-yl-2H-indole

C23H28N2 — CID 174353114

IUPACquinoline;2,3,3-trimethyl-1-propan-2-yl-2H-indole
SMILESCC(C)N1c2ccccc2C(C)(C)C1C.c1ccc2ncccc2c1
InChIInChI=1S/C14H21N.C9H7N/c1-10(2)15-11(3)14(4,5)12-8-6-7-9-13(12)15;1-2-6-9-8(4-1)5-3-7-10-9/h6-11H,1-5H3;1-7H
InChIKeyDBCHLNOZJGXSIT-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.82
Rot. Bonds1

About quinoline;2,3,3-trimethyl-1-propan-2-yl-2H-indole

quinoline;2,3,3-trimethyl-1-propan-2-yl-2H-indole (PubChem CID 174353114) has the molecular formula C23H28N2 and a molecular weight of 332.49 g/mol. Its IUPAC name is quinoline;2,3,3-trimethyl-1-propan-2-yl-2H-indole.

Molecular Properties

Compound Namequinoline;2,3,3-trimethyl-1-propan-2-yl-2H-indole
PubChem CID174353114
Molecular FormulaC23H28N2
Molecular Weight332.49 g/mol
Exact Mass332.23
IUPAC Namequinoline;2,3,3-trimethyl-1-propan-2-yl-2H-indole
SMILESCC(C)N1c2ccccc2C(C)(C)C1C.c1ccc2ncccc2c1
InChIInChI=1S/C14H21N.C9H7N/c1-10(2)15-11(3)14(4,5)12-8-6-7-9-13(12)15;1-2-6-9-8(4-1)5-3-7-10-9/h6-11H,1-5H3;1-7H
InChIKeyDBCHLNOZJGXSIT-UHFFFAOYSA-N
XLogP5.82
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of quinoline;2,3,3-trimethyl-1-propan-2-yl-2H-indole?
The IUPAC name of quinoline;2,3,3-trimethyl-1-propan-2-yl-2H-indole (CID 174353114) is quinoline;2,3,3-trimethyl-1-propan-2-yl-2H-indole.
What is the SMILES notation for quinoline;2,3,3-trimethyl-1-propan-2-yl-2H-indole?
The canonical SMILES for quinoline;2,3,3-trimethyl-1-propan-2-yl-2H-indole is CC(C)N1c2ccccc2C(C)(C)C1C.c1ccc2ncccc2c1.
What is the InChIKey of quinoline;2,3,3-trimethyl-1-propan-2-yl-2H-indole?
The InChIKey is DBCHLNOZJGXSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N.C9H7N/c1-10(2)15-11(3)14(4,5)12-8-6-7-9-13(12)15;1-2-6-9-8(4-1)5-3-7-10-9/h6-11H,1-5H3;1-7H.
What are the key properties of quinoline;2,3,3-trimethyl-1-propan-2-yl-2H-indole?
quinoline;2,3,3-trimethyl-1-propan-2-yl-2H-indole has a molecular weight of 332.49 g/mol, XLogP of 5.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for quinoline;2,3,3-trimethyl-1-propan-2-yl-2H-indole is sourced from PubChem (CID 174353114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).