methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate

C15H16BrNO3 — CID 102942117

IUPACmethyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)C)c2ccc(C)c(Br)c2n1
InChIInChI=1S/C15H16BrNO3/c1-8(2)20-12-7-11(15(18)19-4)17-14-10(12)6-5-9(3)13(14)16/h5-8H,1-4H3
InChIKeyKVAINBNKGBXOGH-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.88
Rot. Bonds3

About methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate

methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate (PubChem CID 102942117) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate
PubChem CID102942117
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Namemethyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate
SMILESCOC(=O)c1cc(OC(C)C)c2ccc(C)c(Br)c2n1
InChIInChI=1S/C15H16BrNO3/c1-8(2)20-12-7-11(15(18)19-4)17-14-10(12)6-5-9(3)13(14)16/h5-8H,1-4H3
InChIKeyKVAINBNKGBXOGH-UHFFFAOYSA-N
XLogP3.88
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.88
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-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941983
methyl 8-methoxy-5-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941918
methyl 8-chloro-6-methyl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941876
methyl 5-bromo-8-fluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102942028
methyl 8-chloro-4-methoxy-7-methylquinoline-2-carboxylate
CID 114250699
methyl 7-amino-4-methoxy-8-methylquinoline-2-carboxylate
CID 134859415
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
methyl 4-methyl-3-propan-2-yloxybenzoate
CID 23157412
methyl 6-bromo-4,5-dimethoxypyridine-2-carboxylate
CID 86205250
methyl 5,7-difluoro-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941854
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812

Frequently Asked Questions

What is the IUPAC name of methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate?
The IUPAC name of methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate (CID 102942117) is methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate.
What is the SMILES notation for methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate?
The canonical SMILES for methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate is COC(=O)c1cc(OC(C)C)c2ccc(C)c(Br)c2n1.
What is the InChIKey of methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate?
The InChIKey is KVAINBNKGBXOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-8(2)20-12-7-11(15(18)19-4)17-14-10(12)6-5-9(3)13(14)16/h5-8H,1-4H3.
What are the key properties of methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate?
methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate has a molecular weight of 338.20 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-bromo-7-methyl-4-propan-2-yloxyquinoline-2-carboxylate is sourced from PubChem (CID 102942117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).