quinolin-8-yl N-(3-chlorophenyl)carbamate

C16H11ClN2O2 — CID 4167432

IUPACquinolin-8-yl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)Oc1cccc2cccnc12
InChIInChI=1S/C16H11ClN2O2/c17-12-6-2-7-13(10-12)19-16(20)21-14-8-1-4-11-5-3-9-18-15(11)14/h1-10H,(H,19,20)
InChIKeyRPKVZILEJLGVFL-UHFFFAOYSA-N
MW298.73 g/mol
LogP4.50
Rot. Bonds2

About quinolin-8-yl N-(3-chlorophenyl)carbamate

quinolin-8-yl N-(3-chlorophenyl)carbamate (PubChem CID 4167432) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is quinolin-8-yl N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Namequinolin-8-yl N-(3-chlorophenyl)carbamate
PubChem CID4167432
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Namequinolin-8-yl N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)Oc1cccc2cccnc12
InChIInChI=1S/C16H11ClN2O2/c17-12-6-2-7-13(10-12)19-16(20)21-14-8-1-4-11-5-3-9-18-15(11)14/h1-10H,(H,19,20)
InChIKeyRPKVZILEJLGVFL-UHFFFAOYSA-N
XLogP4.50
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Chloroacetoxyquinoline
CID 2718
5-Chloro-8-phenoxyquinoline
CID 2767025
8-Quinolinyl N-(2,4-dimethoxyphenyl)carbamate
CID 3333370
8-Quinolyl N-(2-methoxyphenyl)carbamate
CID 3329723
8-Methoxy-N-(2-methylphenyl)-4-quinolinamine
CID 125497
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
8-quinolyl (2Z)-3-phenylprop-2-enoate
CID 1550199
Mls003115987
CID 330737
8-Quinolyl N-(3-methoxyphenyl)carbamate
CID 4116749
5-Chloro-8-quinolyl N-phenylcarbamate
CID 853660

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl N-(3-chlorophenyl)carbamate?
The IUPAC name of quinolin-8-yl N-(3-chlorophenyl)carbamate (CID 4167432) is quinolin-8-yl N-(3-chlorophenyl)carbamate.
What is the SMILES notation for quinolin-8-yl N-(3-chlorophenyl)carbamate?
The canonical SMILES for quinolin-8-yl N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)Oc1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl N-(3-chlorophenyl)carbamate?
The InChIKey is RPKVZILEJLGVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-12-6-2-7-13(10-12)19-16(20)21-14-8-1-4-11-5-3-9-18-15(11)14/h1-10H,(H,19,20).
What are the key properties of quinolin-8-yl N-(3-chlorophenyl)carbamate?
quinolin-8-yl N-(3-chlorophenyl)carbamate has a molecular weight of 298.73 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for quinolin-8-yl N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 4167432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).