2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline

C16H19NO2 — CID 58755688

IUPAC2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline
SMILESCOc1ccc2c(OC(C)C)cc(C3CC3)nc2c1
InChIInChI=1S/C16H19NO2/c1-10(2)19-16-9-14(11-4-5-11)17-15-8-12(18-3)6-7-13(15)16/h6-11H,4-5H2,1-3H3
InChIKeyHCOKZONCGXGNOF-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.91
Rot. Bonds4

About 2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline

2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline (PubChem CID 58755688) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline.

Molecular Properties

Compound Name2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline
PubChem CID58755688
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline
SMILESCOc1ccc2c(OC(C)C)cc(C3CC3)nc2c1
InChIInChI=1S/C16H19NO2/c1-10(2)19-16-9-14(11-4-5-11)17-15-8-12(18-3)6-7-13(15)16/h6-11H,4-5H2,1-3H3
InChIKeyHCOKZONCGXGNOF-UHFFFAOYSA-N
XLogP3.91
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline?
The IUPAC name of 2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline (CID 58755688) is 2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline.
What is the SMILES notation for 2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline?
The canonical SMILES for 2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline is COc1ccc2c(OC(C)C)cc(C3CC3)nc2c1.
What is the InChIKey of 2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline?
The InChIKey is HCOKZONCGXGNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-10(2)19-16-9-14(11-4-5-11)17-15-8-12(18-3)6-7-13(15)16/h6-11H,4-5H2,1-3H3.
What are the key properties of 2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline?
2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline has a molecular weight of 257.33 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-methoxy-4-propan-2-yloxyquinoline is sourced from PubChem (CID 58755688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).