quinolin-8-yl N-(3,4-dichlorophenyl)carbamate

C16H10Cl2N2O2 — CID 3623243

IUPACquinolin-8-yl N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Oc1cccc2cccnc12
InChIInChI=1S/C16H10Cl2N2O2/c17-12-7-6-11(9-13(12)18)20-16(21)22-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,(H,20,21)
InChIKeyOPQKNBYTDQCNCX-UHFFFAOYSA-N
MW333.17 g/mol
LogP5.15
Rot. Bonds2

About quinolin-8-yl N-(3,4-dichlorophenyl)carbamate

quinolin-8-yl N-(3,4-dichlorophenyl)carbamate (PubChem CID 3623243) has the molecular formula C16H10Cl2N2O2 and a molecular weight of 333.17 g/mol. Its IUPAC name is quinolin-8-yl N-(3,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Namequinolin-8-yl N-(3,4-dichlorophenyl)carbamate
PubChem CID3623243
Molecular FormulaC16H10Cl2N2O2
Molecular Weight333.17 g/mol
Exact Mass332.01
IUPAC Namequinolin-8-yl N-(3,4-dichlorophenyl)carbamate
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Oc1cccc2cccnc12
InChIInChI=1S/C16H10Cl2N2O2/c17-12-7-6-11(9-13(12)18)20-16(21)22-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,(H,20,21)
InChIKeyOPQKNBYTDQCNCX-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

quinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate
CID 5141993
quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate
CID 4114016
quinolin-8-yl N-(4-ethoxyphenyl)carbamate
CID 3434150
quinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate
CID 3325458
quinolin-8-yl N-(4-pentoxyphenyl)carbamate
CID 69031420
quinolin-8-yl N-(2,4-dimethylphenyl)carbamate
CID 3307290
quinolin-8-yl N-(4-nonoxyphenyl)carbamate
CID 69032746
quinolin-8-yl N-(4-decoxyphenyl)carbamate
CID 69033339
quinolin-8-yl N-[4-(3-phenylpropoxy)phenyl]carbamate
CID 69033100
3-(quinolin-8-yloxycarbonylamino)propanoic acid
CID 116819716
N-(4-amino-3-chlorophenyl)quinoline-8-carboxamide
CID 82863638
methyl N-benzo[h]quinolin-9-ylcarbamate
CID 102128931

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl N-(3,4-dichlorophenyl)carbamate?
The IUPAC name of quinolin-8-yl N-(3,4-dichlorophenyl)carbamate (CID 3623243) is quinolin-8-yl N-(3,4-dichlorophenyl)carbamate.
What is the SMILES notation for quinolin-8-yl N-(3,4-dichlorophenyl)carbamate?
The canonical SMILES for quinolin-8-yl N-(3,4-dichlorophenyl)carbamate is O=C(Nc1ccc(Cl)c(Cl)c1)Oc1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl N-(3,4-dichlorophenyl)carbamate?
The InChIKey is OPQKNBYTDQCNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O2/c17-12-7-6-11(9-13(12)18)20-16(21)22-14-5-1-3-10-4-2-8-19-15(10)14/h1-9H,(H,20,21).
What are the key properties of quinolin-8-yl N-(3,4-dichlorophenyl)carbamate?
quinolin-8-yl N-(3,4-dichlorophenyl)carbamate 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 quinolin-8-yl N-(3,4-dichlorophenyl)carbamate is sourced from PubChem (CID 3623243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).