tert-butyl 4-(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxylate

C19H26N2O4 — CID 66598720

IUPACtert-butyl 4-(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2C(=O)Nc3ccccc3C2O)CC1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)25-18(24)21-10-8-12(9-11-21)15-16(22)13-6-4-5-7-14(13)20-17(15)23/h4-7,12,15-16,22H,8-11H2,1-3H3,(H,20,23)
InChIKeyGJMOZYCZQHMRRA-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.94
Rot. Bonds1

About tert-butyl 4-(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxylate

tert-butyl 4-(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxylate (PubChem CID 66598720) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl 4-(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxylate
PubChem CID66598720
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nametert-butyl 4-(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2C(=O)Nc3ccccc3C2O)CC1
InChIInChI=1S/C19H26N2O4/c1-19(2,3)25-18(24)21-10-8-12(9-11-21)15-16(22)13-6-4-5-7-14(13)20-17(15)23/h4-7,12,15-16,22H,8-11H2,1-3H3,(H,20,23)
InChIKeyGJMOZYCZQHMRRA-UHFFFAOYSA-N
XLogP2.94
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxylate (CID 66598720) is tert-butyl 4-(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2C(=O)Nc3ccccc3C2O)CC1.
What is the InChIKey of tert-butyl 4-(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxylate?
The InChIKey is GJMOZYCZQHMRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-19(2,3)25-18(24)21-10-8-12(9-11-21)15-16(22)13-6-4-5-7-14(13)20-17(15)23/h4-7,12,15-16,22H,8-11H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl 4-(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxylate has a molecular weight of 346.43 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-hydroxy-2-oxo-3,4-dihydro-1H-quinolin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 66598720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).