[4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine

C19H18BrN3O — CID 166362541

IUPAC[4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
SMILESNCc1ccc2c(c1)OCCN2Cc1cc(Br)cc2cccnc12
InChIInChI=1S/C19H18BrN3O/c20-16-9-14-2-1-5-22-19(14)15(10-16)12-23-6-7-24-18-8-13(11-21)3-4-17(18)23/h1-5,8-10H,6-7,11-12,21H2
InChIKeyOXNOGQAHMOCTMZ-UHFFFAOYSA-N
MW384.28 g/mol
LogP3.86
Rot. Bonds3

About [4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine

[4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine (PubChem CID 166362541) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is [4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine.

Molecular Properties

Compound Name[4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
PubChem CID166362541
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC Name[4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine
SMILESNCc1ccc2c(c1)OCCN2Cc1cc(Br)cc2cccnc12
InChIInChI=1S/C19H18BrN3O/c20-16-9-14-2-1-5-22-19(14)15(10-16)12-23-6-7-24-18-8-13(11-21)3-4-17(18)23/h1-5,8-10H,6-7,11-12,21H2
InChIKeyOXNOGQAHMOCTMZ-UHFFFAOYSA-N
XLogP3.86
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine?
The IUPAC name of [4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine (CID 166362541) is [4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine.
What is the SMILES notation for [4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine?
The canonical SMILES for [4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine is NCc1ccc2c(c1)OCCN2Cc1cc(Br)cc2cccnc12.
What is the InChIKey of [4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine?
The InChIKey is OXNOGQAHMOCTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c20-16-9-14-2-1-5-22-19(14)15(10-16)12-23-6-7-24-18-8-13(11-21)3-4-17(18)23/h1-5,8-10H,6-7,11-12,21H2.
What are the key properties of [4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine?
[4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine has a molecular weight of 384.28 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6-bromoquinolin-8-yl)methyl]-2,3-dihydro-1,4-benzoxazin-7-yl]methanamine is sourced from PubChem (CID 166362541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).