(5,7-dichloroquinolin-8-yl) 4-methylpiperidine-1-carboxylate

C16H16Cl2N2O2 — CID 713068

IUPAC(5,7-dichloroquinolin-8-yl) 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)Oc2c(Cl)cc(Cl)c3cccnc23)CC1
InChIInChI=1S/C16H16Cl2N2O2/c1-10-4-7-20(8-5-10)16(21)22-15-13(18)9-12(17)11-3-2-6-19-14(11)15/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyHSGDQUKXSPNONK-UHFFFAOYSA-N
MW339.22 g/mol
LogP4.77
Rot. Bonds1

About (5,7-dichloroquinolin-8-yl) 4-methylpiperidine-1-carboxylate

(5,7-dichloroquinolin-8-yl) 4-methylpiperidine-1-carboxylate (PubChem CID 713068) has the molecular formula C16H16Cl2N2O2 and a molecular weight of 339.22 g/mol. Its IUPAC name is (5,7-dichloroquinolin-8-yl) 4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Name(5,7-dichloroquinolin-8-yl) 4-methylpiperidine-1-carboxylate
PubChem CID713068
Molecular FormulaC16H16Cl2N2O2
Molecular Weight339.22 g/mol
Exact Mass338.06
IUPAC Name(5,7-dichloroquinolin-8-yl) 4-methylpiperidine-1-carboxylate
SMILESCC1CCN(C(=O)Oc2c(Cl)cc(Cl)c3cccnc23)CC1
InChIInChI=1S/C16H16Cl2N2O2/c1-10-4-7-20(8-5-10)16(21)22-15-13(18)9-12(17)11-3-2-6-19-14(11)15/h2-3,6,9-10H,4-5,7-8H2,1H3
InChIKeyHSGDQUKXSPNONK-UHFFFAOYSA-N
XLogP4.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Chloroacetoxyquinoline
CID 2718
5-Chloro-8-quinolinyl 3-(trifluoromethyl)phenylcarbamate
CID 342201
5-chloroquinolin-8-yl N,N-diethylcarbamate
CID 712597
Mls003115987
CID 330737
5-Chloro-8-quinolyl N-phenylcarbamate
CID 853660
5,7-Dichloro-8-quinolyl N-phenylcarbamate
CID 4605311
Quinolin-8-yl piperidine-1-carboxylate
CID 713309
5,7-Dichloroquinolin-8-yl morpholine-4-carboxylate
CID 713151
N-[5-(5,7-dichloroquinolin-8-yl)oxypentyl]-2-sulfanylacetamide
CID 126738297
6-Chloro-3-(4-chlorobenzyl)-3,4-dihydro-2H-(1,3)oxazino(5,6-h)quinoline
CID 326320
8-Quinolinol, 5,7-dichloro-, acetate (ester)
CID 148563
8-Quinolyl N-(3-chlorophenyl)carbamate
CID 4167432

Frequently Asked Questions

What is the IUPAC name of (5,7-dichloroquinolin-8-yl) 4-methylpiperidine-1-carboxylate?
The IUPAC name of (5,7-dichloroquinolin-8-yl) 4-methylpiperidine-1-carboxylate (CID 713068) is (5,7-dichloroquinolin-8-yl) 4-methylpiperidine-1-carboxylate.
What is the SMILES notation for (5,7-dichloroquinolin-8-yl) 4-methylpiperidine-1-carboxylate?
The canonical SMILES for (5,7-dichloroquinolin-8-yl) 4-methylpiperidine-1-carboxylate is CC1CCN(C(=O)Oc2c(Cl)cc(Cl)c3cccnc23)CC1.
What is the InChIKey of (5,7-dichloroquinolin-8-yl) 4-methylpiperidine-1-carboxylate?
The InChIKey is HSGDQUKXSPNONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O2/c1-10-4-7-20(8-5-10)16(21)22-15-13(18)9-12(17)11-3-2-6-19-14(11)15/h2-3,6,9-10H,4-5,7-8H2,1H3.
What are the key properties of (5,7-dichloroquinolin-8-yl) 4-methylpiperidine-1-carboxylate?
(5,7-dichloroquinolin-8-yl) 4-methylpiperidine-1-carboxylate has a molecular weight of 339.22 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloroquinolin-8-yl) 4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 713068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).