(2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate

C17H12Cl2N2O2 — CID 3641246

IUPAC(2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate
SMILESCc1ccc2cccc(OC(=O)Nc3ccc(Cl)cc3Cl)c2n1
InChIInChI=1S/C17H12Cl2N2O2/c1-10-5-6-11-3-2-4-15(16(11)20-10)23-17(22)21-14-8-7-12(18)9-13(14)19/h2-9H,1H3,(H,21,22)
InChIKeyZRWBUQFBIGPPJU-UHFFFAOYSA-N
MW347.20 g/mol
LogP5.46
Rot. Bonds2

About (2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate

(2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate (PubChem CID 3641246) has the molecular formula C17H12Cl2N2O2 and a molecular weight of 347.20 g/mol. Its IUPAC name is (2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate.

Molecular Properties

Compound Name(2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate
PubChem CID3641246
Molecular FormulaC17H12Cl2N2O2
Molecular Weight347.20 g/mol
Exact Mass346.03
IUPAC Name(2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate
SMILESCc1ccc2cccc(OC(=O)Nc3ccc(Cl)cc3Cl)c2n1
InChIInChI=1S/C17H12Cl2N2O2/c1-10-5-6-11-3-2-4-15(16(11)20-10)23-17(22)21-14-8-7-12(18)9-13(14)19/h2-9H,1H3,(H,21,22)
InChIKeyZRWBUQFBIGPPJU-UHFFFAOYSA-N
XLogP5.46
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.20
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate
CID 4114016
(2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate
CID 3406785
(2-methylquinolin-8-yl) N-[4-[[4-[(2-methylquinolin-8-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 5053129
(2,4,5-trichlorophenyl) N-(2,4-dichlorophenyl)carbamate
CID 4086863
quinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate
CID 3325458
quinolin-8-yl N-(2,4-dimethylphenyl)carbamate
CID 3307290
N-(2,4-dichlorophenyl)-2,6-dimethylpyrimidine-4-carboxamide
CID 110864036
4-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 63094434
5-chloro-2-(2-methylquinolin-8-yl)oxybenzonitrile
CID 62493743
quinolin-8-yl N-(3,4-dichlorophenyl)carbamate
CID 3623243
4-N-(2,5-dichlorophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141921
tris[(2-methylquinolin-8-yl)oxy]gallane
CID 59002282

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate?
The IUPAC name of (2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate (CID 3641246) is (2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate.
What is the SMILES notation for (2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate?
The canonical SMILES for (2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate is Cc1ccc2cccc(OC(=O)Nc3ccc(Cl)cc3Cl)c2n1.
What is the InChIKey of (2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate?
The InChIKey is ZRWBUQFBIGPPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O2/c1-10-5-6-11-3-2-4-15(16(11)20-10)23-17(22)21-14-8-7-12(18)9-13(14)19/h2-9H,1H3,(H,21,22).
What are the key properties of (2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate?
(2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate has a molecular weight of 347.20 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate is sourced from PubChem (CID 3641246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).