N-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide

C20H19BrN2O3 — CID 54676681

IUPACN-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2ccc(Br)cc2)c(O)c2ccccc21
InChIInChI=1S/C20H19BrN2O3/c1-2-3-12-23-16-7-5-4-6-15(16)18(24)17(20(23)26)19(25)22-14-10-8-13(21)9-11-14/h4-11,24H,2-3,12H2,1H3,(H,22,25)
InChIKeyPKUHGAJDPNJEBS-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.52
Rot. Bonds5

About N-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide

N-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54676681) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54676681
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC NameN-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2ccc(Br)cc2)c(O)c2ccccc21
InChIInChI=1S/C20H19BrN2O3/c1-2-3-12-23-16-7-5-4-6-15(16)18(24)17(20(23)26)19(25)22-14-10-8-13(21)9-11-14/h4-11,24H,2-3,12H2,1H3,(H,22,25)
InChIKeyPKUHGAJDPNJEBS-UHFFFAOYSA-N
XLogP4.52
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54676681) is N-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide is CCCCn1c(=O)c(C(=O)Nc2ccc(Br)cc2)c(O)c2ccccc21.
What is the InChIKey of N-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is PKUHGAJDPNJEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c1-2-3-12-23-16-7-5-4-6-15(16)18(24)17(20(23)26)19(25)22-14-10-8-13(21)9-11-14/h4-11,24H,2-3,12H2,1H3,(H,22,25).
What are the key properties of N-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
N-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 415.29 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54676681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).