2-ethoxy-3-(2-methylpropyl)quinoline;quinoline

C24H26N2O — CID 174809217

IUPAC2-ethoxy-3-(2-methylpropyl)quinoline;quinoline
SMILESCCOc1nc2ccccc2cc1CC(C)C.c1ccc2ncccc2c1
InChIInChI=1S/C15H19NO.C9H7N/c1-4-17-15-13(9-11(2)3)10-12-7-5-6-8-14(12)16-15;1-2-6-9-8(4-1)5-3-7-10-9/h5-8,10-11H,4,9H2,1-3H3;1-7H
InChIKeyONEZFCZCCXJFSD-UHFFFAOYSA-N
MW358.49 g/mol
LogP6.07
Rot. Bonds4

About 2-ethoxy-3-(2-methylpropyl)quinoline;quinoline

2-ethoxy-3-(2-methylpropyl)quinoline;quinoline (PubChem CID 174809217) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-ethoxy-3-(2-methylpropyl)quinoline;quinoline.

Molecular Properties

Compound Name2-ethoxy-3-(2-methylpropyl)quinoline;quinoline
PubChem CID174809217
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name2-ethoxy-3-(2-methylpropyl)quinoline;quinoline
SMILESCCOc1nc2ccccc2cc1CC(C)C.c1ccc2ncccc2c1
InChIInChI=1S/C15H19NO.C9H7N/c1-4-17-15-13(9-11(2)3)10-12-7-5-6-8-14(12)16-15;1-2-6-9-8(4-1)5-3-7-10-9/h5-8,10-11H,4,9H2,1-3H3;1-7H
InChIKeyONEZFCZCCXJFSD-UHFFFAOYSA-N
XLogP6.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(2-methylpropyl)quinoline;quinoline?
The IUPAC name of 2-ethoxy-3-(2-methylpropyl)quinoline;quinoline (CID 174809217) is 2-ethoxy-3-(2-methylpropyl)quinoline;quinoline.
What is the SMILES notation for 2-ethoxy-3-(2-methylpropyl)quinoline;quinoline?
The canonical SMILES for 2-ethoxy-3-(2-methylpropyl)quinoline;quinoline is CCOc1nc2ccccc2cc1CC(C)C.c1ccc2ncccc2c1.
What is the InChIKey of 2-ethoxy-3-(2-methylpropyl)quinoline;quinoline?
The InChIKey is ONEZFCZCCXJFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.C9H7N/c1-4-17-15-13(9-11(2)3)10-12-7-5-6-8-14(12)16-15;1-2-6-9-8(4-1)5-3-7-10-9/h5-8,10-11H,4,9H2,1-3H3;1-7H.
What are the key properties of 2-ethoxy-3-(2-methylpropyl)quinoline;quinoline?
2-ethoxy-3-(2-methylpropyl)quinoline;quinoline has a molecular weight of 358.49 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(2-methylpropyl)quinoline;quinoline is sourced from PubChem (CID 174809217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).