N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide

C23H17BrN2O — CID 4159405

IUPACN-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccccc3Br)c3ccccc3n2)c1
InChIInChI=1S/C23H17BrN2O/c1-15-7-6-8-16(13-15)22-14-18(17-9-2-4-11-20(17)25-22)23(27)26-21-12-5-3-10-19(21)24/h2-14H,1H3,(H,26,27)
InChIKeyHTELLIIBWLCECY-UHFFFAOYSA-N
MW417.31 g/mol
LogP6.23
Rot. Bonds3

About N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide

N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide (PubChem CID 4159405) has the molecular formula C23H17BrN2O and a molecular weight of 417.31 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
PubChem CID4159405
Molecular FormulaC23H17BrN2O
Molecular Weight417.31 g/mol
Exact Mass416.05
IUPAC NameN-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccccc3Br)c3ccccc3n2)c1
InChIInChI=1S/C23H17BrN2O/c1-15-7-6-8-16(13-15)22-14-18(17-9-2-4-11-20(17)25-22)23(27)26-21-12-5-3-10-19(21)24/h2-14H,1H3,(H,26,27)
InChIKeyHTELLIIBWLCECY-UHFFFAOYSA-N
XLogP6.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.31
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-carbamoylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 2886854
N-(2-chloro-3-pyridinyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 5239523
2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 5113014
2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3663866
N-(2-methylphenyl)-2-phenylquinoline-4-carboxamide
CID 769490
N-(2-bromophenyl)-2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxamide
CID 42993277
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4196964
N-(2,4-dimethylphenyl)-2-phenylquinoline-4-carboxamide
CID 3480982
2-(3-methylphenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3595937
N-(2,3-dimethylphenyl)-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 5129728
2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3596091
2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide
CID 4657048

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide (CID 4159405) is N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide is Cc1cccc(-c2cc(C(=O)Nc3ccccc3Br)c3ccccc3n2)c1.
What is the InChIKey of N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The InChIKey is HTELLIIBWLCECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2O/c1-15-7-6-8-16(13-15)22-14-18(17-9-2-4-11-20(17)25-22)23(27)26-21-12-5-3-10-19(21)24/h2-14H,1H3,(H,26,27).
What are the key properties of N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide has a molecular weight of 417.31 g/mol, XLogP of 6.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4159405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).