methyl 4-propan-2-ylquinoline-2-carboxylate

C14H15NO2 — CID 138515929

IUPACmethyl 4-propan-2-ylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(C(C)C)c2ccccc2n1
InChIInChI=1S/C14H15NO2/c1-9(2)11-8-13(14(16)17-3)15-12-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKeyZIXUDUHHFSHMRZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.14
Rot. Bonds2

About methyl 4-propan-2-ylquinoline-2-carboxylate

methyl 4-propan-2-ylquinoline-2-carboxylate (PubChem CID 138515929) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 4-propan-2-ylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-propan-2-ylquinoline-2-carboxylate
PubChem CID138515929
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 4-propan-2-ylquinoline-2-carboxylate
SMILESCOC(=O)c1cc(C(C)C)c2ccccc2n1
InChIInChI=1S/C14H15NO2/c1-9(2)11-8-13(14(16)17-3)15-12-7-5-4-6-10(11)12/h4-9H,1-3H3
InChIKeyZIXUDUHHFSHMRZ-UHFFFAOYSA-N
XLogP3.14
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-pentylquinoline-2-carboxylate
CID 174963802
methyl 4-(naphthalene-1-carbonyl)quinoline-2-carboxylate
CID 175123666
methyl 4-(3-methoxy-3-oxopropyl)sulfanylquinoline-2-carboxylate
CID 15166991
methyl 4-(2-methoxyanilino)quinoline-2-carboxylate
CID 53113238
trimethyl-(4-propan-2-ylquinolin-2-yl)oxysilane
CID 134989647
methyl acridine-9-carboxylate
CID 21211
methyl 4-(2-ethoxyanilino)quinoline-2-carboxylate
CID 45499064
methyl 4-(4-bromoanilino)quinoline-2-carboxylate
CID 45499074
methyl 4-(4-fluoroanilino)quinoline-2-carboxylate
CID 53113237
methyl 8-propan-2-yl-4-propan-2-yloxyquinoline-2-carboxylate
CID 102941983
2-bromo-4-propan-2-ylquinoline
CID 146082408
5-propan-2-ylquinoline-2-carboxylic acid
CID 166734564

Frequently Asked Questions

What is the IUPAC name of methyl 4-propan-2-ylquinoline-2-carboxylate?
The IUPAC name of methyl 4-propan-2-ylquinoline-2-carboxylate (CID 138515929) is methyl 4-propan-2-ylquinoline-2-carboxylate.
What is the SMILES notation for methyl 4-propan-2-ylquinoline-2-carboxylate?
The canonical SMILES for methyl 4-propan-2-ylquinoline-2-carboxylate is COC(=O)c1cc(C(C)C)c2ccccc2n1.
What is the InChIKey of methyl 4-propan-2-ylquinoline-2-carboxylate?
The InChIKey is ZIXUDUHHFSHMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9(2)11-8-13(14(16)17-3)15-12-7-5-4-6-10(11)12/h4-9H,1-3H3.
What are the key properties of methyl 4-propan-2-ylquinoline-2-carboxylate?
methyl 4-propan-2-ylquinoline-2-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-propan-2-ylquinoline-2-carboxylate is sourced from PubChem (CID 138515929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).