methyl 4-methoxy-8-propoxyquinoline-2-carboxylate

C15H17NO4 — CID 102941864

IUPACmethyl 4-methoxy-8-propoxyquinoline-2-carboxylate
SMILESCCCOc1cccc2c(OC)cc(C(=O)OC)nc12
InChIInChI=1S/C15H17NO4/c1-4-8-20-12-7-5-6-10-13(18-2)9-11(15(17)19-3)16-14(10)12/h5-7,9H,4,8H2,1-3H3
InChIKeySVUQFWOPAXPPTM-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.82
Rot. Bonds5

About methyl 4-methoxy-8-propoxyquinoline-2-carboxylate

methyl 4-methoxy-8-propoxyquinoline-2-carboxylate (PubChem CID 102941864) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is methyl 4-methoxy-8-propoxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-8-propoxyquinoline-2-carboxylate
PubChem CID102941864
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Namemethyl 4-methoxy-8-propoxyquinoline-2-carboxylate
SMILESCCCOc1cccc2c(OC)cc(C(=O)OC)nc12
InChIInChI=1S/C15H17NO4/c1-4-8-20-12-7-5-6-10-13(18-2)9-11(15(17)19-3)16-14(10)12/h5-7,9H,4,8H2,1-3H3
InChIKeySVUQFWOPAXPPTM-UHFFFAOYSA-N
XLogP2.82
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-8-propoxyquinoline-2-carboxylate?
The IUPAC name of methyl 4-methoxy-8-propoxyquinoline-2-carboxylate (CID 102941864) is methyl 4-methoxy-8-propoxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-8-propoxyquinoline-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-8-propoxyquinoline-2-carboxylate is CCCOc1cccc2c(OC)cc(C(=O)OC)nc12.
What is the InChIKey of methyl 4-methoxy-8-propoxyquinoline-2-carboxylate?
The InChIKey is SVUQFWOPAXPPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-4-8-20-12-7-5-6-10-13(18-2)9-11(15(17)19-3)16-14(10)12/h5-7,9H,4,8H2,1-3H3.
What are the key properties of methyl 4-methoxy-8-propoxyquinoline-2-carboxylate?
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate has a molecular weight of 275.30 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-8-propoxyquinoline-2-carboxylate is sourced from PubChem (CID 102941864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).