N-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide

C22H14BrClN2O — CID 4553123

IUPACN-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H14BrClN2O/c23-15-6-9-17(10-7-15)25-22(27)19-13-21(14-4-2-1-3-5-14)26-20-11-8-16(24)12-18(19)20/h1-13H,(H,25,27)
InChIKeyKMTPDJUVBLZXOO-UHFFFAOYSA-N
MW437.72 g/mol
LogP6.57
Rot. Bonds3

About N-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide

N-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide (PubChem CID 4553123) has the molecular formula C22H14BrClN2O and a molecular weight of 437.72 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide
PubChem CID4553123
Molecular FormulaC22H14BrClN2O
Molecular Weight437.72 g/mol
Exact Mass436.00
IUPAC NameN-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12
InChIInChI=1S/C22H14BrClN2O/c23-15-6-9-17(10-7-15)25-22(27)19-13-21(14-4-2-1-3-5-14)26-20-11-8-16(24)12-18(19)20/h1-13H,(H,25,27)
InChIKeyKMTPDJUVBLZXOO-UHFFFAOYSA-N
XLogP6.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.72
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide (CID 4553123) is N-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide is O=C(Nc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12.
What is the InChIKey of N-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide?
The InChIKey is KMTPDJUVBLZXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14BrClN2O/c23-15-6-9-17(10-7-15)25-22(27)19-13-21(14-4-2-1-3-5-14)26-20-11-8-16(24)12-18(19)20/h1-13H,(H,25,27).
What are the key properties of N-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide?
N-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide has a molecular weight of 437.72 g/mol, XLogP of 6.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-chloro-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 4553123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).