(5,7-dichloroquinolin-8-yl) N-phenylcarbamate

C16H10Cl2N2O2 — CID 4605311

IUPAC(5,7-dichloroquinolin-8-yl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1c(Cl)cc(Cl)c2cccnc12
InChIInChI=1S/C16H10Cl2N2O2/c17-12-9-13(18)15(14-11(12)7-4-8-19-14)22-16(21)20-10-5-2-1-3-6-10/h1-9H,(H,20,21)
InChIKeyGHVKGOZMCZYQNZ-UHFFFAOYSA-N
MW333.17 g/mol
LogP5.15
Rot. Bonds2

About (5,7-dichloroquinolin-8-yl) N-phenylcarbamate

(5,7-dichloroquinolin-8-yl) N-phenylcarbamate (PubChem CID 4605311) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is (5,7-dichloroquinolin-8-yl) N-phenylcarbamate.

Molecular Properties

Compound Name(5,7-dichloroquinolin-8-yl) N-phenylcarbamate
PubChem CID4605311
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Name(5,7-dichloroquinolin-8-yl) N-phenylcarbamate
SMILESO=C(Nc1ccccc1)Oc1c(Cl)cc(Cl)c2cccnc12
InChIInChI=1S/C16H10Cl2N2O2/c17-12-9-13(18)15(14-11(12)7-4-8-19-14)22-16(21)20-10-5-2-1-3-6-10/h1-9H,(H,20,21)
InChIKeyGHVKGOZMCZYQNZ-UHFFFAOYSA-N
XLogP5.15
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.17
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2718
5-Chloro-8-phenoxyquinoline
CID 2767025
8-Quinolyl N-(2-methoxyphenyl)carbamate
CID 3329723
5-Chloro-8-[(3-Chlorobenzyl)oxy]quinoline
CID 56643075
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
N-tert-butyl-2-(5,7-dichloro-2-methylquinolin-8-yl)oxyacetamide
CID 2517636
5,7-Dichloroquinolin-8-yl morpholine-4-carboxylate
CID 713151
Quinolin-8-yl phenylcarbamate
CID 239197
4-Methyl-piperidine-1-carboxylic acid 5,7-dichloro-quinolin-8-yl ester
CID 713068

Frequently Asked Questions

What is the IUPAC name of (5,7-dichloroquinolin-8-yl) N-phenylcarbamate?
The IUPAC name of (5,7-dichloroquinolin-8-yl) N-phenylcarbamate (CID 4605311) is (5,7-dichloroquinolin-8-yl) N-phenylcarbamate.
What is the SMILES notation for (5,7-dichloroquinolin-8-yl) N-phenylcarbamate?
The canonical SMILES for (5,7-dichloroquinolin-8-yl) N-phenylcarbamate is O=C(Nc1ccccc1)Oc1c(Cl)cc(Cl)c2cccnc12.
What is the InChIKey of (5,7-dichloroquinolin-8-yl) N-phenylcarbamate?
The InChIKey is GHVKGOZMCZYQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-12-9-13(18)15(14-11(12)7-4-8-19-14)22-16(21)20-10-5-2-1-3-6-10/h1-9H,(H,20,21).
What are the key properties of (5,7-dichloroquinolin-8-yl) N-phenylcarbamate?
(5,7-dichloroquinolin-8-yl) N-phenylcarbamate has a molecular weight of 333.17 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dichloroquinolin-8-yl) N-phenylcarbamate is sourced from PubChem (CID 4605311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).