6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine

C17H16BrN3 — CID 61415486

IUPAC6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine
SMILESCN(Cc1ccc(Br)cc1)c1ccc2ncccc2c1N
InChIInChI=1S/C17H16BrN3/c1-21(11-12-4-6-13(18)7-5-12)16-9-8-15-14(17(16)19)3-2-10-20-15/h2-10H,11,19H2,1H3
InChIKeyXSEDAVJSUUFKRL-UHFFFAOYSA-N
MW342.24 g/mol
LogP4.22
Rot. Bonds3

About 6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine

6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine (PubChem CID 61415486) has the molecular formula C17H16BrN3 and a molecular weight of 342.24 g/mol. Its IUPAC name is 6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine.

Molecular Properties

Compound Name6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine
PubChem CID61415486
Molecular FormulaC17H16BrN3
Molecular Weight342.24 g/mol
Exact Mass341.05
IUPAC Name6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine
SMILESCN(Cc1ccc(Br)cc1)c1ccc2ncccc2c1N
InChIInChI=1S/C17H16BrN3/c1-21(11-12-4-6-13(18)7-5-12)16-9-8-15-14(17(16)19)3-2-10-20-15/h2-10H,11,19H2,1H3
InChIKeyXSEDAVJSUUFKRL-UHFFFAOYSA-N
XLogP4.22
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-N-methyl-6-N-[(4-methylphenyl)methyl]quinoline-5,6-diamine
CID 43809516
2-[(5-aminoquinolin-6-yl)-methylamino]-N,N-dimethylacetamide
CID 43809689
6-N-[[1-(dimethylamino)cyclobutyl]methyl]-6-N-methylquinoline-5,6-diamine
CID 105414166
6-N-methoxy-6-N-methylquinoline-5,6-diamine
CID 43809762
6-N-methyl-6-N-propan-2-ylquinoline-5,6-diamine
CID 43809487
8-N-methyl-8-N-[(4-methylphenyl)methyl]quinoline-5,8-diamine
CID 43450085
6-N-methyl-6-N-(3-methylbutan-2-yl)quinoline-5,6-diamine
CID 43809730
6-N-methyl-6-N-(4-methylpentan-2-yl)quinoline-5,6-diamine
CID 55001292
6-N-ethyl-6-N-phenylquinoline-5,6-diamine
CID 43809497
4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine
CID 64587901
5-N-methyl-5-N-(pyridin-3-ylmethyl)quinoline-5,8-diamine
CID 43563386
6-N-methyl-6-N-(3-methylphenyl)quinoline-5,6-diamine
CID 62001678

Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine?
The IUPAC name of 6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine (CID 61415486) is 6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine.
What is the SMILES notation for 6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine?
The canonical SMILES for 6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine is CN(Cc1ccc(Br)cc1)c1ccc2ncccc2c1N.
What is the InChIKey of 6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine?
The InChIKey is XSEDAVJSUUFKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3/c1-21(11-12-4-6-13(18)7-5-12)16-9-8-15-14(17(16)19)3-2-10-20-15/h2-10H,11,19H2,1H3.
What are the key properties of 6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine?
6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine has a molecular weight of 342.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-bromophenyl)methyl]-6-N-methylquinoline-5,6-diamine is sourced from PubChem (CID 61415486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).