1-(4-bromophenyl)-N-quinolin-3-ylmethanimine

C16H11BrN2 — CID 581794

IUPAC1-(4-bromophenyl)-N-quinolin-3-ylmethanimine
SMILESBrc1ccc(/C=N/c2cnc3ccccc3c2)cc1
InChIInChI=1S/C16H11BrN2/c17-14-7-5-12(6-8-14)10-18-15-9-13-3-1-2-4-16(13)19-11-15/h1-11H/b18-10+
InChIKeyOPCXAPLQIMNBKX-VCHYOVAHSA-N
MW311.18 g/mol
LogP4.75
Rot. Bonds2

About 1-(4-bromophenyl)-N-quinolin-3-ylmethanimine

1-(4-bromophenyl)-N-quinolin-3-ylmethanimine (PubChem CID 581794) has the molecular formula C16H11BrN2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-quinolin-3-ylmethanimine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-quinolin-3-ylmethanimine
PubChem CID581794
Molecular FormulaC16H11BrN2
Molecular Weight311.18 g/mol
Exact Mass310.01
IUPAC Name1-(4-bromophenyl)-N-quinolin-3-ylmethanimine
SMILESBrc1ccc(/C=N/c2cnc3ccccc3c2)cc1
InChIInChI=1S/C16H11BrN2/c17-14-7-5-12(6-8-14)10-18-15-9-13-3-1-2-4-16(13)19-11-15/h1-11H/b18-10+
InChIKeyOPCXAPLQIMNBKX-VCHYOVAHSA-N
XLogP4.75
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-quinolin-3-ylmethanimine?
The IUPAC name of 1-(4-bromophenyl)-N-quinolin-3-ylmethanimine (CID 581794) is 1-(4-bromophenyl)-N-quinolin-3-ylmethanimine.
What is the SMILES notation for 1-(4-bromophenyl)-N-quinolin-3-ylmethanimine?
The canonical SMILES for 1-(4-bromophenyl)-N-quinolin-3-ylmethanimine is Brc1ccc(/C=N/c2cnc3ccccc3c2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-quinolin-3-ylmethanimine?
The InChIKey is OPCXAPLQIMNBKX-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H11BrN2/c17-14-7-5-12(6-8-14)10-18-15-9-13-3-1-2-4-16(13)19-11-15/h1-11H/b18-10+.
What are the key properties of 1-(4-bromophenyl)-N-quinolin-3-ylmethanimine?
1-(4-bromophenyl)-N-quinolin-3-ylmethanimine has a molecular weight of 311.18 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-quinolin-3-ylmethanimine is sourced from PubChem (CID 581794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).