methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate

C17H21NO3 — CID 102941983

IUPACmethyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)C)c2cccc(C(C)C)c2n1
InChIInChI=1S/C17H21NO3/c1-10(2)12-7-6-8-13-15(21-11(3)4)9-14(17(19)20-5)18-16(12)13/h6-11H,1-5H3
InChIKeyDYXJYVKTYONINJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.93
Rot. Bonds4

About methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate

methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate (PubChem CID 102941983) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate
PubChem CID102941983
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namemethyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)C)c2cccc(C(C)C)c2n1
InChIInChI=1S/C17H21NO3/c1-10(2)12-7-6-8-13-15(21-11(3)4)9-14(17(19)20-5)18-16(12)13/h6-11H,1-5H3
InChIKeyDYXJYVKTYONINJ-UHFFFAOYSA-N
XLogP3.93
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate?
The IUPAC name of methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate (CID 102941983) is methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate?
The canonical SMILES for methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate is COC(=O)c1cc(OC(C)C)c2cccc(C(C)C)c2n1.
What is the InChIKey of methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate?
The InChIKey is DYXJYVKTYONINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-10(2)12-7-6-8-13-15(21-11(3)4)9-14(17(19)20-5)18-16(12)13/h6-11H,1-5H3.
What are the key properties of methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate?
methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate is sourced from PubChem (CID 102941983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).