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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Related Compounds

methyl 8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941932
methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102942117
methyl 8-chloro-6-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941876
methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941918
methyl 4-propan-2-ylquinoline-2-carboxylate
CID 138515929
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102942028
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864
4-methoxy-8-propan-2-ylquinoline-2-carbaldehyde
CID 22493610
methyl 8-[[8-[[8-[[8-[[8-[[8-[[8-[[8-amino-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carbonyl]amino]-4-(2-methylpropoxy)quinoline-2-carboxylate
CID 177484902
1-[2,8-di(propan-2-yl)quinolin-4-yl]ethanone
CID 82448088
methyl 4-chloro-8-ethoxyquinoline-2-carboxylate
CID 63376560

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).