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

C16H11BrN2O — CID 5112006

IUPACN-(4-bromophenyl)quinoline-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C16H11BrN2O/c17-12-6-8-13(9-7-12)18-16(20)15-10-5-11-3-1-2-4-14(11)19-15/h1-10H,(H,18,20)
InChIKeyIKLQMYIBTBSMPW-UHFFFAOYSA-N
MW327.18 g/mol
LogP4.25
Rot. Bonds2

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

N-(4-bromophenyl)quinoline-2-carboxamide (PubChem CID 5112006) has the molecular formula C16H11BrN2O and a molecular weight of 327.18 g/mol. Its IUPAC name is N-(4-bromophenyl)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)quinoline-2-carboxamide
PubChem CID5112006
Molecular FormulaC16H11BrN2O
Molecular Weight327.18 g/mol
Exact Mass326.01
IUPAC NameN-(4-bromophenyl)quinoline-2-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc2ccccc2n1
InChIInChI=1S/C16H11BrN2O/c17-12-6-8-13(9-7-12)18-16(20)15-10-5-11-3-1-2-4-14(11)19-15/h1-10H,(H,18,20)
InChIKeyIKLQMYIBTBSMPW-UHFFFAOYSA-N
XLogP4.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-fluorophenyl)quinoline-2-carboxamide
CID 65435460
N-[4-(3-methylbutanoylamino)phenyl]quinoline-2-carboxamide
CID 33027080
N-(6-fluoro-3-pyridinyl)quinoline-2-carboxamide
CID 103789892
N-[8-(4-bromophenyl)naphthalen-1-yl]quinoline-2-carboxamide
CID 71659560
N-pyridazin-4-ylquinoline-2-carboxamide
CID 175846718
N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane
CID 161338496
N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide
CID 121062115
N-(5-bromo-2-chloro-3-pyridinyl)quinoline-2-carboxamide
CID 102979115
N-(2-chlorophenyl)quinoline-2-carboxamide
CID 878226
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]quinoline-2-carboxamide
CID 55663087
N-(2-methoxypyrimidin-5-yl)quinoline-2-carboxamide
CID 122301510
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]quinoline-2-carboxamide
CID 32937835

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)quinoline-2-carboxamide?
The IUPAC name of N-(4-bromophenyl)quinoline-2-carboxamide (CID 5112006) is N-(4-bromophenyl)quinoline-2-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)quinoline-2-carboxamide?
The canonical SMILES for N-(4-bromophenyl)quinoline-2-carboxamide is O=C(Nc1ccc(Br)cc1)c1ccc2ccccc2n1.
What is the InChIKey of N-(4-bromophenyl)quinoline-2-carboxamide?
The InChIKey is IKLQMYIBTBSMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN2O/c17-12-6-8-13(9-7-12)18-16(20)15-10-5-11-3-1-2-4-14(11)19-15/h1-10H,(H,18,20).
What are the key properties of N-(4-bromophenyl)quinoline-2-carboxamide?
N-(4-bromophenyl)quinoline-2-carboxamide has a molecular weight of 327.18 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)quinoline-2-carboxamide is sourced from PubChem (CID 5112006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).