2,4-diethyl-2-methyl-6-propan-2-yl-1H-quinoline

C17H25N — CID 101173813

IUPAC2,4-diethyl-2-methyl-6-propan-2-yl-1H-quinoline
SMILESCCC1=CC(C)(CC)Nc2ccc(C(C)C)cc21
InChIInChI=1S/C17H25N/c1-6-13-11-17(5,7-2)18-16-9-8-14(12(3)4)10-15(13)16/h8-12,18H,6-7H2,1-5H3
InChIKeyPLQTYNIVHFUELT-UHFFFAOYSA-N
MW243.39 g/mol
LogP5.20
Rot. Bonds3

About 2,4-diethyl-2-methyl-6-propan-2-yl-1H-quinoline

2,4-diethyl-2-methyl-6-propan-2-yl-1H-quinoline (PubChem CID 101173813) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2,4-diethyl-2-methyl-6-propan-2-yl-1H-quinoline.

Molecular Properties

Compound Name2,4-diethyl-2-methyl-6-propan-2-yl-1H-quinoline
PubChem CID101173813
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2,4-diethyl-2-methyl-6-propan-2-yl-1H-quinoline
SMILESCCC1=CC(C)(CC)Nc2ccc(C(C)C)cc21
InChIInChI=1S/C17H25N/c1-6-13-11-17(5,7-2)18-16-9-8-14(12(3)4)10-15(13)16/h8-12,18H,6-7H2,1-5H3
InChIKeyPLQTYNIVHFUELT-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-2-methyl-6-propan-2-yl-1H-quinoline?
The IUPAC name of 2,4-diethyl-2-methyl-6-propan-2-yl-1H-quinoline (CID 101173813) is 2,4-diethyl-2-methyl-6-propan-2-yl-1H-quinoline.
What is the SMILES notation for 2,4-diethyl-2-methyl-6-propan-2-yl-1H-quinoline?
The canonical SMILES for 2,4-diethyl-2-methyl-6-propan-2-yl-1H-quinoline is CCC1=CC(C)(CC)Nc2ccc(C(C)C)cc21.
What is the InChIKey of 2,4-diethyl-2-methyl-6-propan-2-yl-1H-quinoline?
The InChIKey is PLQTYNIVHFUELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N/c1-6-13-11-17(5,7-2)18-16-9-8-14(12(3)4)10-15(13)16/h8-12,18H,6-7H2,1-5H3.
What are the key properties of 2,4-diethyl-2-methyl-6-propan-2-yl-1H-quinoline?
2,4-diethyl-2-methyl-6-propan-2-yl-1H-quinoline has a molecular weight of 243.39 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-2-methyl-6-propan-2-yl-1H-quinoline is sourced from PubChem (CID 101173813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).