N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C20H16BrN3O2S — CID 43038266

IUPACN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1sc(NC(=O)C2CC(=O)Nc3ccccc32)nc1-c1ccc(Br)cc1
InChIInChI=1S/C20H16BrN3O2S/c1-11-18(12-6-8-13(21)9-7-12)23-20(27-11)24-19(26)15-10-17(25)22-16-5-3-2-4-14(15)16/h2-9,15H,10H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyZADJIWBPLPTSCM-UHFFFAOYSA-N
MW442.34 g/mol
LogP4.95
Rot. Bonds3

About N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 43038266) has the molecular formula C20H16BrN3O2S and a molecular weight of 442.34 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID43038266
Molecular FormulaC20H16BrN3O2S
Molecular Weight442.34 g/mol
Exact Mass441.01
IUPAC NameN-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1sc(NC(=O)C2CC(=O)Nc3ccccc32)nc1-c1ccc(Br)cc1
InChIInChI=1S/C20H16BrN3O2S/c1-11-18(12-6-8-13(21)9-7-12)23-20(27-11)24-19(26)15-10-17(25)22-16-5-3-2-4-14(15)16/h2-9,15H,10H2,1H3,(H,22,25)(H,23,24,26)
InChIKeyZADJIWBPLPTSCM-UHFFFAOYSA-N
XLogP4.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.34
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 43038266) is N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is Cc1sc(NC(=O)C2CC(=O)Nc3ccccc32)nc1-c1ccc(Br)cc1.
What is the InChIKey of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is ZADJIWBPLPTSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O2S/c1-11-18(12-6-8-13(21)9-7-12)23-20(27-11)24-19(26)15-10-17(25)22-16-5-3-2-4-14(15)16/h2-9,15H,10H2,1H3,(H,22,25)(H,23,24,26).
What are the key properties of N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 442.34 g/mol, XLogP of 4.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 43038266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).