(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone

C19H15BrN2O — CID 44527941

IUPAC(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C19H15BrN2O/c20-15-8-10-18-14(12-15)5-3-11-22(18)19(23)17-9-7-13-4-1-2-6-16(13)21-17/h1-2,4,6-10,12H,3,5,11H2
InChIKeyDSQUNUOOMRUINQ-UHFFFAOYSA-N
MW367.25 g/mol
LogP4.59
Rot. Bonds1

About (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone

(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone (PubChem CID 44527941) has the molecular formula C19H15BrN2O and a molecular weight of 367.25 g/mol. Its IUPAC name is (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone.

Molecular Properties

Compound Name(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone
PubChem CID44527941
Molecular FormulaC19H15BrN2O
Molecular Weight367.25 g/mol
Exact Mass366.04
IUPAC Name(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone
SMILESO=C(c1ccc2ccccc2n1)N1CCCc2cc(Br)ccc21
InChIInChI=1S/C19H15BrN2O/c20-15-8-10-18-14(12-15)5-3-11-22(18)19(23)17-9-7-13-4-1-2-6-16(13)21-17/h1-2,4,6-10,12H,3,5,11H2
InChIKeyDSQUNUOOMRUINQ-UHFFFAOYSA-N
XLogP4.59
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.25
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone 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 (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone?
The IUPAC name of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone (CID 44527941) is (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone.
What is the SMILES notation for (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone?
The canonical SMILES for (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone is O=C(c1ccc2ccccc2n1)N1CCCc2cc(Br)ccc21.
What is the InChIKey of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone?
The InChIKey is DSQUNUOOMRUINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O/c20-15-8-10-18-14(12-15)5-3-11-22(18)19(23)17-9-7-13-4-1-2-6-16(13)21-17/h1-2,4,6-10,12H,3,5,11H2.
What are the key properties of (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone?
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone has a molecular weight of 367.25 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone is sourced from PubChem (CID 44527941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).