(2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate

C17H13BrN2O2 — CID 3406785

IUPAC(2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate
SMILESCc1ccc2cccc(OC(=O)Nc3ccc(Br)cc3)c2n1
InChIInChI=1S/C17H13BrN2O2/c1-11-5-6-12-3-2-4-15(16(12)19-11)22-17(21)20-14-9-7-13(18)8-10-14/h2-10H,1H3,(H,20,21)
InChIKeyUCXALOXRZJPHFD-UHFFFAOYSA-N
MW357.21 g/mol
LogP4.92
Rot. Bonds2

About (2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate

(2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate (PubChem CID 3406785) has the molecular formula C17H13BrN2O2 and a molecular weight of 357.21 g/mol. Its IUPAC name is (2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate.

Molecular Properties

Compound Name(2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate
PubChem CID3406785
Molecular FormulaC17H13BrN2O2
Molecular Weight357.21 g/mol
Exact Mass356.02
IUPAC Name(2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate
SMILESCc1ccc2cccc(OC(=O)Nc3ccc(Br)cc3)c2n1
InChIInChI=1S/C17H13BrN2O2/c1-11-5-6-12-3-2-4-15(16(12)19-11)22-17(21)20-14-9-7-13(18)8-10-14/h2-10H,1H3,(H,20,21)
InChIKeyUCXALOXRZJPHFD-UHFFFAOYSA-N
XLogP4.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.21
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylquinolin-8-yl) N-[4-[[4-[(2-methylquinolin-8-yl)oxycarbonylamino]phenyl]methyl]phenyl]carbamate
CID 5053129
(2-methylquinolin-8-yl) N-(2,4-dichlorophenyl)carbamate
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tris[(2-methylquinolin-8-yl)oxy]gallane
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O-(2-methylquinolin-8-yl) N-phenylcarbamothioate
CID 3418096
2-(2-methylquinolin-8-yl)oxy-N-(4-methylsulfanylphenyl)acetamide
CID 24581925
quinolin-8-yl N-(4-ethoxyphenyl)carbamate
CID 3434150
2-(2-methylquinolin-8-yl)oxy-N-naphthalen-2-ylacetamide
CID 40512034
4-N-(4-bromophenyl)-6-(2-methylquinolin-8-yl)oxypyrimidine-4,5-diamine
CID 19141939
(2-methylquinolin-8-yl) thiophene-2-carboxylate
CID 2858152
quinolin-8-yl N-(4-pentoxyphenyl)carbamate
CID 69031420
CID 20665518
CID 20665518
1-(2-methylquinolin-8-yl)oxybutan-2-one
CID 62040414

Frequently Asked Questions

What is the IUPAC name of (2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate?
The IUPAC name of (2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate (CID 3406785) is (2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate.
What is the SMILES notation for (2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate?
The canonical SMILES for (2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate is Cc1ccc2cccc(OC(=O)Nc3ccc(Br)cc3)c2n1.
What is the InChIKey of (2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate?
The InChIKey is UCXALOXRZJPHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O2/c1-11-5-6-12-3-2-4-15(16(12)19-11)22-17(21)20-14-9-7-13(18)8-10-14/h2-10H,1H3,(H,20,21).
What are the key properties of (2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate?
(2-methylquinolin-8-yl) N-(4-bromophenyl)carbamate has a molecular weight of 357.21 g/mol, XLogP of 4.92, 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-(4-bromophenyl)carbamate is sourced from PubChem (CID 3406785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).