tert-butyl 3-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate

C15H19NO3 — CID 23433478

IUPACtert-butyl 3-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)c2ccccc2C1=O
InChIInChI=1S/C15H19NO3/c1-10-9-16(14(18)19-15(2,3)4)12-8-6-5-7-11(12)13(10)17/h5-8,10H,9H2,1-4H3
InChIKeyGDCIBEYCLNBFEO-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.26
Rot. Bonds

About tert-butyl 3-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate

tert-butyl 3-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate (PubChem CID 23433478) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is tert-butyl 3-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate
PubChem CID23433478
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Nametert-butyl 3-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate
SMILESCC1CN(C(=O)OC(C)(C)C)c2ccccc2C1=O
InChIInChI=1S/C15H19NO3/c1-10-9-16(14(18)19-15(2,3)4)12-8-6-5-7-11(12)13(10)17/h5-8,10H,9H2,1-4H3
InChIKeyGDCIBEYCLNBFEO-UHFFFAOYSA-N
XLogP3.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate (CID 23433478) is tert-butyl 3-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate is CC1CN(C(=O)OC(C)(C)C)c2ccccc2C1=O.
What is the InChIKey of tert-butyl 3-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate?
The InChIKey is GDCIBEYCLNBFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10-9-16(14(18)19-15(2,3)4)12-8-6-5-7-11(12)13(10)17/h5-8,10H,9H2,1-4H3.
What are the key properties of tert-butyl 3-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate?
tert-butyl 3-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-4-oxo-2,3-dihydroquinoline-1-carboxylate is sourced from PubChem (CID 23433478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).