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

C17H13BrN2O — CID 856097

IUPACN-(4-bromophenyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cc2)c2ccccc2n1
InChIInChI=1S/C17H13BrN2O/c1-11-10-15(14-4-2-3-5-16(14)19-11)17(21)20-13-8-6-12(18)7-9-13/h2-10H,1H3,(H,20,21)
InChIKeySTVGIEIRSOGQJA-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.56
Rot. Bonds2

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

N-(4-bromophenyl)-2-methylquinoline-4-carboxamide (PubChem CID 856097) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-methylquinoline-4-carboxamide
PubChem CID856097
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC NameN-(4-bromophenyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Br)cc2)c2ccccc2n1
InChIInChI=1S/C17H13BrN2O/c1-11-10-15(14-4-2-3-5-16(14)19-11)17(21)20-13-8-6-12(18)7-9-13/h2-10H,1H3,(H,20,21)
InChIKeySTVGIEIRSOGQJA-UHFFFAOYSA-N
XLogP4.56
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-methylquinoline-4-carboxamide (CID 856097) is N-(4-bromophenyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)Nc2ccc(Br)cc2)c2ccccc2n1.
What is the InChIKey of N-(4-bromophenyl)-2-methylquinoline-4-carboxamide?
The InChIKey is STVGIEIRSOGQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c1-11-10-15(14-4-2-3-5-16(14)19-11)17(21)20-13-8-6-12(18)7-9-13/h2-10H,1H3,(H,20,21).
What are the key properties of N-(4-bromophenyl)-2-methylquinoline-4-carboxamide?
N-(4-bromophenyl)-2-methylquinoline-4-carboxamide has a molecular weight of 341.21 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 856097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).