tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate

C16H22N2O3 — CID 57347305

IUPACtert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(=O)NC1Cc2ccccc2N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H22N2O3/c1-11(19)17-13-9-12-7-5-6-8-14(12)18(10-13)15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,19)
InChIKeyODVIBBIJXMZYKO-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.49
Rot. Bonds1

About tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate

tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 57347305) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID57347305
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nametert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCC(=O)NC1Cc2ccccc2N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H22N2O3/c1-11(19)17-13-9-12-7-5-6-8-14(12)18(10-13)15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,19)
InChIKeyODVIBBIJXMZYKO-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate (CID 57347305) is tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate is CC(=O)NC1Cc2ccccc2N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is ODVIBBIJXMZYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(19)17-13-9-12-7-5-6-8-14(12)18(10-13)15(20)21-16(2,3)4/h5-8,13H,9-10H2,1-4H3,(H,17,19).
What are the key properties of tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate?
tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-acetamido-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 57347305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).