quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate

C17H13ClN2O2 — CID 4114016

IUPACquinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate
SMILESCc1cc(Cl)ccc1NC(=O)Oc1cccc2cccnc12
InChIInChI=1S/C17H13ClN2O2/c1-11-10-13(18)7-8-14(11)20-17(21)22-15-6-2-4-12-5-3-9-19-16(12)15/h2-10H,1H3,(H,20,21)
InChIKeyYSPNFPHFKPKMLG-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.81
Rot. Bonds2

About quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate

quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate (PubChem CID 4114016) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate.

Molecular Properties

Compound Namequinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate
PubChem CID4114016
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC Namequinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate
SMILESCc1cc(Cl)ccc1NC(=O)Oc1cccc2cccnc12
InChIInChI=1S/C17H13ClN2O2/c1-11-10-13(18)7-8-14(11)20-17(21)22-15-6-2-4-12-5-3-9-19-16(12)15/h2-10H,1H3,(H,20,21)
InChIKeyYSPNFPHFKPKMLG-UHFFFAOYSA-N
XLogP4.81
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

quinolin-8-yl N-(2,4-dimethylphenyl)carbamate
CID 3307290
1-(4-chloro-2-methylphenyl)-3-quinolin-8-ylurea
CID 108991844
quinolin-8-yl N-(3,4-dichlorophenyl)carbamate
CID 3623243
(2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate
CID 3641246
quinolin-8-yl N-(2-chloro-4-nitrophenyl)carbamate
CID 3325458
8-[4-(4-chloro-2-methylphenoxy)butoxy]quinoline
CID 2289108
quinolin-8-yl N-(4-chloro-3-nitrophenyl)carbamate
CID 5141993
methyl N-(4-chloro-2-methylphenyl)carbamate
CID 3262623
3-[acetyl(quinolin-8-yl)amino]-N-(4-chloro-2-methylphenyl)propanamide
CID 113133258
(4-bromo-3,5-dimethylphenyl) N-(4-chloro-2-methylphenyl)carbamate
CID 3265597
(5-amino-2,4-dichlorophenyl) N-(4-chloro-2-methylphenyl)carbamate
CID 70593902
quinolin-8-yl N-(4-ethoxyphenyl)carbamate
CID 3434150

Frequently Asked Questions

What is the IUPAC name of quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate?
The IUPAC name of quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate (CID 4114016) is quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate.
What is the SMILES notation for quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate?
The canonical SMILES for quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate is Cc1cc(Cl)ccc1NC(=O)Oc1cccc2cccnc12.
What is the InChIKey of quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate?
The InChIKey is YSPNFPHFKPKMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-11-10-13(18)7-8-14(11)20-17(21)22-15-6-2-4-12-5-3-9-19-16(12)15/h2-10H,1H3,(H,20,21).
What are the key properties of quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate?
quinolin-8-yl N-(4-chloro-2-methylphenyl)carbamate has a molecular weight of 312.76 g/mol, XLogP of 4.81, 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-(4-chloro-2-methylphenyl)carbamate is sourced from PubChem (CID 4114016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).