3-bromo-N-(quinolin-4-ylmethyl)aniline

C16H13BrN2 — CID 55252220

IUPAC3-bromo-N-(quinolin-4-ylmethyl)aniline
SMILESBrc1cccc(NCc2ccnc3ccccc23)c1
InChIInChI=1S/C16H13BrN2/c17-13-4-3-5-14(10-13)19-11-12-8-9-18-16-7-2-1-6-15(12)16/h1-10,19H,11H2
InChIKeyQDKBPIRQAKVWHG-UHFFFAOYSA-N
MW313.20 g/mol
LogP4.61
Rot. Bonds3

About 3-bromo-N-(quinolin-4-ylmethyl)aniline

3-bromo-N-(quinolin-4-ylmethyl)aniline (PubChem CID 55252220) has the molecular formula C16H13BrN2 and a molecular weight of 313.20 g/mol. Its IUPAC name is 3-bromo-N-(quinolin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3-bromo-N-(quinolin-4-ylmethyl)aniline
PubChem CID55252220
Molecular FormulaC16H13BrN2
Molecular Weight313.20 g/mol
Exact Mass312.03
IUPAC Name3-bromo-N-(quinolin-4-ylmethyl)aniline
SMILESBrc1cccc(NCc2ccnc3ccccc23)c1
InChIInChI=1S/C16H13BrN2/c17-13-4-3-5-14(10-13)19-11-12-8-9-18-16-7-2-1-6-15(12)16/h1-10,19H,11H2
InChIKeyQDKBPIRQAKVWHG-UHFFFAOYSA-N
XLogP4.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.20
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-bromo-N-(quinolin-4-ylmethyl)aniline with MolForge

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

Launch Full Analysis

Related Compounds

N-(quinolin-4-ylmethyl)aniline
CID 57199115
3-(quinolin-4-ylmethylamino)benzamide
CID 63868510
3-(chloromethyl)-N-(quinolin-4-ylmethyl)aniline
CID 79240217
3-ethynyl-N-(quinolin-4-ylmethyl)aniline
CID 63868765
2,4-dibromo-N-(quinolin-4-ylmethyl)aniline
CID 63868656
4-bromo-2-chloro-N-(quinolin-4-ylmethyl)aniline
CID 63866864
3,4,5-trifluoro-N-(quinolin-4-ylmethyl)aniline
CID 63868241
1-[3-(quinolin-4-ylmethylamino)phenyl]butan-1-ol
CID 54525531
2-bromo-6-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 107598558
4-methoxy-N-(quinolin-4-ylmethyl)aniline
CID 63850882
4-chloro-3-methoxy-N-(quinolin-4-ylmethyl)aniline
CID 107268053
2-bromo-4,6-difluoro-N-(quinolin-4-ylmethyl)aniline
CID 63867024

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(quinolin-4-ylmethyl)aniline?
The IUPAC name of 3-bromo-N-(quinolin-4-ylmethyl)aniline (CID 55252220) is 3-bromo-N-(quinolin-4-ylmethyl)aniline.
What is the SMILES notation for 3-bromo-N-(quinolin-4-ylmethyl)aniline?
The canonical SMILES for 3-bromo-N-(quinolin-4-ylmethyl)aniline is Brc1cccc(NCc2ccnc3ccccc23)c1.
What is the InChIKey of 3-bromo-N-(quinolin-4-ylmethyl)aniline?
The InChIKey is QDKBPIRQAKVWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2/c17-13-4-3-5-14(10-13)19-11-12-8-9-18-16-7-2-1-6-15(12)16/h1-10,19H,11H2.
What are the key properties of 3-bromo-N-(quinolin-4-ylmethyl)aniline?
3-bromo-N-(quinolin-4-ylmethyl)aniline has a molecular weight of 313.20 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(quinolin-4-ylmethyl)aniline is sourced from PubChem (CID 55252220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).