tert-butyl 4-(3-ethyl-2-methylquinoline-6-carbonyl)piperidine-1-carboxylate

C23H30N2O3 — CID 11246041

IUPACtert-butyl 4-(3-ethyl-2-methylquinoline-6-carbonyl)piperidine-1-carboxylate
SMILESCCc1cc2cc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)ccc2nc1C
InChIInChI=1S/C23H30N2O3/c1-6-16-13-19-14-18(7-8-20(19)24-15(16)2)21(26)17-9-11-25(12-10-17)22(27)28-23(3,4)5/h7-8,13-14,17H,6,9-12H2,1-5H3
InChIKeyGIJQLDXAKJQZHQ-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.94
Rot. Bonds3

About tert-butyl 4-(3-ethyl-2-methylquinoline-6-carbonyl)piperidine-1-carboxylate

tert-butyl 4-(3-ethyl-2-methylquinoline-6-carbonyl)piperidine-1-carboxylate (PubChem CID 11246041) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is tert-butyl 4-(3-ethyl-2-methylquinoline-6-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-ethyl-2-methylquinoline-6-carbonyl)piperidine-1-carboxylate
PubChem CID11246041
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Nametert-butyl 4-(3-ethyl-2-methylquinoline-6-carbonyl)piperidine-1-carboxylate
SMILESCCc1cc2cc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)ccc2nc1C
InChIInChI=1S/C23H30N2O3/c1-6-16-13-19-14-18(7-8-20(19)24-15(16)2)21(26)17-9-11-25(12-10-17)22(27)28-23(3,4)5/h7-8,13-14,17H,6,9-12H2,1-5H3
InChIKeyGIJQLDXAKJQZHQ-UHFFFAOYSA-N
XLogP4.94
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-ethyl-2-methylquinoline-6-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-ethyl-2-methylquinoline-6-carbonyl)piperidine-1-carboxylate (CID 11246041) is tert-butyl 4-(3-ethyl-2-methylquinoline-6-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-ethyl-2-methylquinoline-6-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-ethyl-2-methylquinoline-6-carbonyl)piperidine-1-carboxylate is CCc1cc2cc(C(=O)C3CCN(C(=O)OC(C)(C)C)CC3)ccc2nc1C.
What is the InChIKey of tert-butyl 4-(3-ethyl-2-methylquinoline-6-carbonyl)piperidine-1-carboxylate?
The InChIKey is GIJQLDXAKJQZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-6-16-13-19-14-18(7-8-20(19)24-15(16)2)21(26)17-9-11-25(12-10-17)22(27)28-23(3,4)5/h7-8,13-14,17H,6,9-12H2,1-5H3.
What are the key properties of tert-butyl 4-(3-ethyl-2-methylquinoline-6-carbonyl)piperidine-1-carboxylate?
tert-butyl 4-(3-ethyl-2-methylquinoline-6-carbonyl)piperidine-1-carboxylate has a molecular weight of 382.50 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-ethyl-2-methylquinoline-6-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 11246041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).