N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide

C18H22BrN3O2 — CID 121442457

IUPACN-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide
SMILESCc1cc(N)c2c(OC3CCC(NC(=O)CBr)CC3)cccc2n1
InChIInChI=1S/C18H22BrN3O2/c1-11-9-14(20)18-15(21-11)3-2-4-16(18)24-13-7-5-12(6-8-13)22-17(23)10-19/h2-4,9,12-13H,5-8,10H2,1H3,(H2,20,21)(H,22,23)
InChIKeyUIBVTIPENVDZEF-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.33
Rot. Bonds4

About N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide

N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide (PubChem CID 121442457) has the molecular formula C18H22BrN3O2 and a molecular weight of 392.30 g/mol. Its IUPAC name is N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide
PubChem CID121442457
Molecular FormulaC18H22BrN3O2
Molecular Weight392.30 g/mol
Exact Mass391.09
IUPAC NameN-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide
SMILESCc1cc(N)c2c(OC3CCC(NC(=O)CBr)CC3)cccc2n1
InChIInChI=1S/C18H22BrN3O2/c1-11-9-14(20)18-15(21-11)3-2-4-16(18)24-13-7-5-12(6-8-13)22-17(23)10-19/h2-4,9,12-13H,5-8,10H2,1H3,(H2,20,21)(H,22,23)
InChIKeyUIBVTIPENVDZEF-UHFFFAOYSA-N
XLogP3.33
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide?
The IUPAC name of N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide (CID 121442457) is N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide.
What is the SMILES notation for N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide?
The canonical SMILES for N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide is Cc1cc(N)c2c(OC3CCC(NC(=O)CBr)CC3)cccc2n1.
What is the InChIKey of N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide?
The InChIKey is UIBVTIPENVDZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BrN3O2/c1-11-9-14(20)18-15(21-11)3-2-4-16(18)24-13-7-5-12(6-8-13)22-17(23)10-19/h2-4,9,12-13H,5-8,10H2,1H3,(H2,20,21)(H,22,23).
What are the key properties of N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide?
N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide has a molecular weight of 392.30 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-methylquinolin-5-yl)oxycyclohexyl]-2-bromoacetamide is sourced from PubChem (CID 121442457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).