tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate

C20H24ClN3O3 — CID 139512502

IUPACtert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C20H24ClN3O3/c1-20(2,3)27-19(26)24-10-8-15(9-11-24)22-18(25)17-6-4-13-12-14(21)5-7-16(13)23-17/h4-7,12,15H,8-11H2,1-3H3,(H,22,25)
InChIKeyAVZCGOMKLWCGMC-UHFFFAOYSA-N
MW389.88 g/mol
LogP4.02
Rot. Bonds2

About tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate

tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate (PubChem CID 139512502) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate
PubChem CID139512502
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Nametert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3cc(Cl)ccc3n2)CC1
InChIInChI=1S/C20H24ClN3O3/c1-20(2,3)27-19(26)24-10-8-15(9-11-24)22-18(25)17-6-4-13-12-14(21)5-7-16(13)23-17/h4-7,12,15H,8-11H2,1-3H3,(H,22,25)
InChIKeyAVZCGOMKLWCGMC-UHFFFAOYSA-N
XLogP4.02
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate (CID 139512502) is tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3cc(Cl)ccc3n2)CC1.
What is the InChIKey of tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate?
The InChIKey is AVZCGOMKLWCGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-20(2,3)27-19(26)24-10-8-15(9-11-24)22-18(25)17-6-4-13-12-14(21)5-7-16(13)23-17/h4-7,12,15H,8-11H2,1-3H3,(H,22,25).
What are the key properties of tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate has a molecular weight of 389.88 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(6-chloroquinoline-2-carbonyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 139512502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).