2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide

C22H15BrN2O2 — CID 1126008

IUPAC2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(Oc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H15BrN2O2/c23-15-10-12-17(13-11-15)27-21-14-19(18-8-4-5-9-20(18)25-21)22(26)24-16-6-2-1-3-7-16/h1-14H,(H,24,26)
InChIKeyQPLWNLVIMRCSLD-UHFFFAOYSA-N
MW419.28 g/mol
LogP6.04
Rot. Bonds4

About 2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide

2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide (PubChem CID 1126008) has the molecular formula C22H15BrN2O2 and a molecular weight of 419.28 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide
PubChem CID1126008
Molecular FormulaC22H15BrN2O2
Molecular Weight419.28 g/mol
Exact Mass418.03
IUPAC Name2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(Oc2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C22H15BrN2O2/c23-15-10-12-17(13-11-15)27-21-14-19(18-8-4-5-9-20(18)25-21)22(26)24-16-6-2-1-3-7-16/h1-14H,(H,24,26)
InChIKeyQPLWNLVIMRCSLD-UHFFFAOYSA-N
XLogP6.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.28
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide 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

2-(4-bromophenoxy)quinoline-4-carboxamide
CID 749895
2-(4-bromophenoxy)quinoline-4-carboximidamide
CID 63884544
[2-(4-bromophenoxy)quinolin-4-yl]-morpholin-4-ylmethanone
CID 8002841
2-[2-(dimethylamino)ethoxy]-N-phenylquinoline-4-carboxamide
CID 152623988
2-(4-bromophenyl)-N-(3,5-dimethylphenyl)quinoline-4-carboxamide
CID 2163425
4-[(2-methoxyquinoline-4-carbonyl)amino]benzoate
CID 6954390
2-(furan-2-yl)-N-[4-[4-[[2-(furan-2-yl)quinoline-4-carbonyl]amino]phenoxy]phenyl]quinoline-4-carboxamide
CID 3663828
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(4-bromophenyl)-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 5047594
N-(2,4-dibromophenyl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 4056955
N-[4-(difluoromethoxy)phenyl]-2-phenylquinoline-4-carboxamide
CID 2318784
2-[2-[2-(4-bromophenyl)quinoline-4-carbonyl]hydrazinyl]-N-(4-methoxyphenyl)acetamide
CID 170903132

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide?
The IUPAC name of 2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide (CID 1126008) is 2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide is O=C(Nc1ccccc1)c1cc(Oc2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide?
The InChIKey is QPLWNLVIMRCSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15BrN2O2/c23-15-10-12-17(13-11-15)27-21-14-19(18-8-4-5-9-20(18)25-21)22(26)24-16-6-2-1-3-7-16/h1-14H,(H,24,26).
What are the key properties of 2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide?
2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide has a molecular weight of 419.28 g/mol, XLogP of 6.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-phenylquinoline-4-carboxamide is sourced from PubChem (CID 1126008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).