propan-2-yl 5-methoxyquinoline-8-carboxylate

C14H15NO3 — CID 67977903

IUPACpropan-2-yl 5-methoxyquinoline-8-carboxylate
SMILESCOc1ccc(C(=O)OC(C)C)c2ncccc12
InChIInChI=1S/C14H15NO3/c1-9(2)18-14(16)11-6-7-12(17-3)10-5-4-8-15-13(10)11/h4-9H,1-3H3
InChIKeyJHHJBKNIGKPNNF-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.81
Rot. Bonds3

About propan-2-yl 5-methoxyquinoline-8-carboxylate

propan-2-yl 5-methoxyquinoline-8-carboxylate (PubChem CID 67977903) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is propan-2-yl 5-methoxyquinoline-8-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-methoxyquinoline-8-carboxylate
PubChem CID67977903
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namepropan-2-yl 5-methoxyquinoline-8-carboxylate
SMILESCOc1ccc(C(=O)OC(C)C)c2ncccc12
InChIInChI=1S/C14H15NO3/c1-9(2)18-14(16)11-6-7-12(17-3)10-5-4-8-15-13(10)11/h4-9H,1-3H3
InChIKeyJHHJBKNIGKPNNF-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

Analyze propan-2-yl 5-methoxyquinoline-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(8-methoxyquinolin-5-yl)-2-methyl-3-oxopropanoate
CID 59335917
dipropan-2-yl pyridine-2,3-dicarboxylate
CID 14745930
methyl 5-(5-methoxyquinolin-8-yl)furan-2-carboxylate
CID 53469334
CID 88936748
CID 88936748
propan-2-yl 2-propan-2-yloxypyridine-3-carboxylate
CID 121229095
propan-2-yl 3-methoxy-2-propoxybenzoate
CID 82186231
methyl N-(5-methoxyquinolin-8-yl)-N-methylcarbamate
CID 139305519
N-(8-methoxyquinolin-5-yl)-3-methylbutanamide
CID 26823099
[(2R)-1-methoxy-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 41470143
(E)-4-(8-methoxyquinolin-5-yl)-4-oxobut-2-enoic acid
CID 93193155
5-methoxy-1,7-phenanthroline
CID 67576947
dipropan-2-yl perylene-3,9-dicarboxylate
CID 86028819

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-methoxyquinoline-8-carboxylate?
The IUPAC name of propan-2-yl 5-methoxyquinoline-8-carboxylate (CID 67977903) is propan-2-yl 5-methoxyquinoline-8-carboxylate.
What is the SMILES notation for propan-2-yl 5-methoxyquinoline-8-carboxylate?
The canonical SMILES for propan-2-yl 5-methoxyquinoline-8-carboxylate is COc1ccc(C(=O)OC(C)C)c2ncccc12.
What is the InChIKey of propan-2-yl 5-methoxyquinoline-8-carboxylate?
The InChIKey is JHHJBKNIGKPNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9(2)18-14(16)11-6-7-12(17-3)10-5-4-8-15-13(10)11/h4-9H,1-3H3.
What are the key properties of propan-2-yl 5-methoxyquinoline-8-carboxylate?
propan-2-yl 5-methoxyquinoline-8-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 5-methoxyquinoline-8-carboxylate is sourced from PubChem (CID 67977903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).