[4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate

C17H21BrN2O4 — CID 140566064

IUPAC[4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate
SMILESCOc1ccc2ccc(Br)c(C(CO)CC(C)(C)OC(N)=O)c2n1
InChIInChI=1S/C17H21BrN2O4/c1-17(2,24-16(19)22)8-11(9-21)14-12(18)6-4-10-5-7-13(23-3)20-15(10)14/h4-7,11,21H,8-9H2,1-3H3,(H2,19,22)
InChIKeyGZFFKEMXHAAXCY-UHFFFAOYSA-N
MW397.27 g/mol
LogP3.35
Rot. Bonds6

About [4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate

[4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate (PubChem CID 140566064) has the molecular formula C17H21BrN2O4 and a molecular weight of 397.27 g/mol. Its IUPAC name is [4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate
PubChem CID140566064
Molecular FormulaC17H21BrN2O4
Molecular Weight397.27 g/mol
Exact Mass396.07
IUPAC Name[4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate
SMILESCOc1ccc2ccc(Br)c(C(CO)CC(C)(C)OC(N)=O)c2n1
InChIInChI=1S/C17H21BrN2O4/c1-17(2,24-16(19)22)8-11(9-21)14-12(18)6-4-10-5-7-13(23-3)20-15(10)14/h4-7,11,21H,8-9H2,1-3H3,(H2,19,22)
InChIKeyGZFFKEMXHAAXCY-UHFFFAOYSA-N
XLogP3.35
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate?
The IUPAC name of [4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate (CID 140566064) is [4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate.
What is the SMILES notation for [4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate?
The canonical SMILES for [4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate is COc1ccc2ccc(Br)c(C(CO)CC(C)(C)OC(N)=O)c2n1.
What is the InChIKey of [4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate?
The InChIKey is GZFFKEMXHAAXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2O4/c1-17(2,24-16(19)22)8-11(9-21)14-12(18)6-4-10-5-7-13(23-3)20-15(10)14/h4-7,11,21H,8-9H2,1-3H3,(H2,19,22).
What are the key properties of [4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate?
[4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate has a molecular weight of 397.27 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-bromo-2-methoxyquinolin-8-yl)-5-hydroxy-2-methylpentan-2-yl] carbamate is sourced from PubChem (CID 140566064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).