propan-2-yl 2-methylquinoline-6-carboxylate

C14H15NO2 — CID 67977912

IUPACpropan-2-yl 2-methylquinoline-6-carboxylate
SMILESCc1ccc2cc(C(=O)OC(C)C)ccc2n1
InChIInChI=1S/C14H15NO2/c1-9(2)17-14(16)12-6-7-13-11(8-12)5-4-10(3)15-13/h4-9H,1-3H3
InChIKeyBCZLGEGXTYCFSG-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.11
Rot. Bonds2

About propan-2-yl 2-methylquinoline-6-carboxylate

propan-2-yl 2-methylquinoline-6-carboxylate (PubChem CID 67977912) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is propan-2-yl 2-methylquinoline-6-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-methylquinoline-6-carboxylate
PubChem CID67977912
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namepropan-2-yl 2-methylquinoline-6-carboxylate
SMILESCc1ccc2cc(C(=O)OC(C)C)ccc2n1
InChIInChI=1S/C14H15NO2/c1-9(2)17-14(16)12-6-7-13-11(8-12)5-4-10(3)15-13/h4-9H,1-3H3
InChIKeyBCZLGEGXTYCFSG-UHFFFAOYSA-N
XLogP3.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-methylquinoline-6-carboxylate?
The IUPAC name of propan-2-yl 2-methylquinoline-6-carboxylate (CID 67977912) is propan-2-yl 2-methylquinoline-6-carboxylate.
What is the SMILES notation for propan-2-yl 2-methylquinoline-6-carboxylate?
The canonical SMILES for propan-2-yl 2-methylquinoline-6-carboxylate is Cc1ccc2cc(C(=O)OC(C)C)ccc2n1.
What is the InChIKey of propan-2-yl 2-methylquinoline-6-carboxylate?
The InChIKey is BCZLGEGXTYCFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9(2)17-14(16)12-6-7-13-11(8-12)5-4-10(3)15-13/h4-9H,1-3H3.
What are the key properties of propan-2-yl 2-methylquinoline-6-carboxylate?
propan-2-yl 2-methylquinoline-6-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-methylquinoline-6-carboxylate is sourced from PubChem (CID 67977912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).