N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

C23H19BrN2O3 — CID 1293972

IUPACN-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCc1ccc(-n2c3c(cc(C(=O)Nc4ccccc4Br)c2=O)C(=O)CCC3)cc1
InChIInChI=1S/C23H19BrN2O3/c1-14-9-11-15(12-10-14)26-20-7-4-8-21(27)16(20)13-17(23(26)29)22(28)25-19-6-3-2-5-18(19)24/h2-3,5-6,9-13H,4,7-8H2,1H3,(H,25,28)
InChIKeyUHNQMXOWQIFACZ-UHFFFAOYSA-N
MW451.32 g/mol
LogP4.68
Rot. Bonds3

About N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide

N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (PubChem CID 1293972) has the molecular formula C23H19BrN2O3 and a molecular weight of 451.32 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
PubChem CID1293972
Molecular FormulaC23H19BrN2O3
Molecular Weight451.32 g/mol
Exact Mass450.06
IUPAC NameN-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
SMILESCc1ccc(-n2c3c(cc(C(=O)Nc4ccccc4Br)c2=O)C(=O)CCC3)cc1
InChIInChI=1S/C23H19BrN2O3/c1-14-9-11-15(12-10-14)26-20-7-4-8-21(27)16(20)13-17(23(26)29)22(28)25-19-6-3-2-5-18(19)24/h2-3,5-6,9-13H,4,7-8H2,1H3,(H,25,28)
InChIKeyUHNQMXOWQIFACZ-UHFFFAOYSA-N
XLogP4.68
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.32
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2,5-dioxo-1-(4-propan-2-ylphenyl)-7,8-dihydro-6H-quinoline-3-carboxamide
CID 46382827
2,5-dioxo-N,1-diphenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 2054310
N-(2,5-dimethylphenyl)-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide
CID 46382874
N-(2-bromophenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 66495526
N-(1-hydroxy-2-methylpropan-2-yl)-1-(4-methoxyphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide
CID 23742174
N-butan-2-yl-2,5-dioxo-1-[4-(trifluoromethyl)phenyl]-7,8-dihydro-6H-quinoline-3-carboxamide
CID 46382852
N-[(1R)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 126444591
7,7-dimethyl-1-(4-methylphenyl)-2,5-dioxo-N-(4-sulfamoylphenyl)-6,8-dihydroquinoline-3-carboxamide
CID 2945255
N-[5-[4-amino-7-(3-fluorocyclopentyl)pyrrolo[2,3-d]pyrimidin-5-yl]-2-pyridinyl]-2,5-dioxo-1-phenyl-7,8-dihydro-6H-quinoline-3-carboxamide
CID 122513352
N-(2,4-dimethylphenyl)-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36704964
N-(2-bromophenyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692929
2,5-dibromo-N-(2-bromophenyl)benzamide
CID 57379653

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide (CID 1293972) is N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is Cc1ccc(-n2c3c(cc(C(=O)Nc4ccccc4Br)c2=O)C(=O)CCC3)cc1.
What is the InChIKey of N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
The InChIKey is UHNQMXOWQIFACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O3/c1-14-9-11-15(12-10-14)26-20-7-4-8-21(27)16(20)13-17(23(26)29)22(28)25-19-6-3-2-5-18(19)24/h2-3,5-6,9-13H,4,7-8H2,1H3,(H,25,28).
What are the key properties of N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide?
N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide has a molecular weight of 451.32 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-3-carboxamide is sourced from PubChem (CID 1293972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).