propan-2-yl 3-methoxyquinoline-2-carboxylate

C14H15NO3 — CID 133055846

IUPACpropan-2-yl 3-methoxyquinoline-2-carboxylate
SMILESCOc1cc2ccccc2nc1C(=O)OC(C)C
InChIInChI=1S/C14H15NO3/c1-9(2)18-14(16)13-12(17-3)8-10-6-4-5-7-11(10)15-13/h4-9H,1-3H3
InChIKeySWKDQMJVVTYZBO-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.81
Rot. Bonds3

About propan-2-yl 3-methoxyquinoline-2-carboxylate

propan-2-yl 3-methoxyquinoline-2-carboxylate (PubChem CID 133055846) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is propan-2-yl 3-methoxyquinoline-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-methoxyquinoline-2-carboxylate
PubChem CID133055846
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namepropan-2-yl 3-methoxyquinoline-2-carboxylate
SMILESCOc1cc2ccccc2nc1C(=O)OC(C)C
InChIInChI=1S/C14H15NO3/c1-9(2)18-14(16)13-12(17-3)8-10-6-4-5-7-11(10)15-13/h4-9H,1-3H3
InChIKeySWKDQMJVVTYZBO-UHFFFAOYSA-N
XLogP2.81
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-methoxyquinoline-2-carboxylate?
The IUPAC name of propan-2-yl 3-methoxyquinoline-2-carboxylate (CID 133055846) is propan-2-yl 3-methoxyquinoline-2-carboxylate.
What is the SMILES notation for propan-2-yl 3-methoxyquinoline-2-carboxylate?
The canonical SMILES for propan-2-yl 3-methoxyquinoline-2-carboxylate is COc1cc2ccccc2nc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 3-methoxyquinoline-2-carboxylate?
The InChIKey is SWKDQMJVVTYZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(2)18-14(16)13-12(17-3)8-10-6-4-5-7-11(10)15-13/h4-9H,1-3H3.
What are the key properties of propan-2-yl 3-methoxyquinoline-2-carboxylate?
propan-2-yl 3-methoxyquinoline-2-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-methoxyquinoline-2-carboxylate is sourced from PubChem (CID 133055846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).