N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide

C18H14BrClN2O2 — CID 30132224

IUPACN-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccccc2Br)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C18H14BrClN2O2/c1-2-22-10-13(17(23)12-9-11(20)7-8-16(12)22)18(24)21-15-6-4-3-5-14(15)19/h3-10H,2H2,1H3,(H,21,24)
InChIKeyXLYZKJBORVVDTG-UHFFFAOYSA-N
MW405.68 g/mol
LogP4.69
Rot. Bonds3

About N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide

N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide (PubChem CID 30132224) has the molecular formula C18H14BrClN2O2 and a molecular weight of 405.68 g/mol. Its IUPAC name is N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
PubChem CID30132224
Molecular FormulaC18H14BrClN2O2
Molecular Weight405.68 g/mol
Exact Mass403.99
IUPAC NameN-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)Nc2ccccc2Br)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C18H14BrClN2O2/c1-2-22-10-13(17(23)12-9-11(20)7-8-16(12)22)18(24)21-15-6-4-3-5-14(15)19/h3-10H,2H2,1H3,(H,21,24)
InChIKeyXLYZKJBORVVDTG-UHFFFAOYSA-N
XLogP4.69
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.68
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1-ethyl-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132194
N-(5-chloro-2-methoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30132938
N-(2,4-dichlorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133604
N-(5-chloro-2-phenoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133022
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-6-methyl-4-oxoquinoline-3-carboxamide
CID 30132118
6-chloro-1-ethyl-4-oxo-N-(pyridin-2-ylmethyl)quinoline-3-carboxamide
CID 30132214
1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide
CID 39850828
6-chloro-N-cycloheptyl-1-ethyl-4-oxoquinoline-3-carboxamide
CID 30132192
N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850888
N-(4-bromo-2-fluorophenyl)-1-ethyl-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133617
6-chloro-1-ethyl-4-oxo-N-(2-thiophen-2-ylethyl)quinoline-3-carboxamide
CID 39851344
6-chloro-N-(2-fluorophenyl)-4-oxo-1-propan-2-ylquinoline-3-carboxamide
CID 39851401

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide (CID 30132224) is N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)Nc2ccccc2Br)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide?
The InChIKey is XLYZKJBORVVDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClN2O2/c1-2-22-10-13(17(23)12-9-11(20)7-8-16(12)22)18(24)21-15-6-4-3-5-14(15)19/h3-10H,2H2,1H3,(H,21,24).
What are the key properties of N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide?
N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide has a molecular weight of 405.68 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-6-chloro-1-ethyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30132224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).