N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide

C21H21BrN2O3 — CID 43888757

IUPACN-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NC(C)c2ccc(Br)cc2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C21H21BrN2O3/c1-4-24-12-18(20(25)17-11-16(27-3)9-10-19(17)24)21(26)23-13(2)14-5-7-15(22)8-6-14/h5-13H,4H2,1-3H3,(H,23,26)
InChIKeyXLFPTGKBOJSFDR-UHFFFAOYSA-N
MW429.31 g/mol
LogP4.28
Rot. Bonds5

About N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide

N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide (PubChem CID 43888757) has the molecular formula C21H21BrN2O3 and a molecular weight of 429.31 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
PubChem CID43888757
Molecular FormulaC21H21BrN2O3
Molecular Weight429.31 g/mol
Exact Mass428.07
IUPAC NameN-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
SMILESCCn1cc(C(=O)NC(C)c2ccc(Br)cc2)c(=O)c2cc(OC)ccc21
InChIInChI=1S/C21H21BrN2O3/c1-4-24-12-18(20(25)17-11-16(27-3)9-10-19(17)24)21(26)23-13(2)14-5-7-15(22)8-6-14/h5-13H,4H2,1-3H3,(H,23,26)
InChIKeyXLFPTGKBOJSFDR-UHFFFAOYSA-N
XLogP4.28
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-6-methoxy-4-oxo-N-[(1S)-1-phenylethyl]quinoline-3-carboxamide
CID 30132817
1-ethyl-6-methoxy-4-oxo-N-(4-propan-2-ylphenyl)quinoline-3-carboxamide
CID 30132855
1-ethyl-6-methoxy-N-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132802
1-ethyl-6-methoxy-N-(6-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27243880
2-amino-N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 115413632
2-bromo-N-[(1S)-1-(4-bromophenyl)ethyl]-5-methoxybenzamide
CID 8752261
1-ethyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-4-oxo-6-(trifluoromethyl)quinoline-3-carboxamide
CID 30133803
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807
1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27260830
N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride
CID 45264362
2-(1-ethyl-5-methoxyindol-3-yl)-2-oxo-N-propan-2-ylacetamide
CID 123864868
N-[1-(4-chlorophenyl)ethyl]-6-ethoxy-1-methyl-4-oxoquinoline-3-carboxamide
CID 43888799

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide (CID 43888757) is N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide is CCn1cc(C(=O)NC(C)c2ccc(Br)cc2)c(=O)c2cc(OC)ccc21.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
The InChIKey is XLFPTGKBOJSFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O3/c1-4-24-12-18(20(25)17-11-16(27-3)9-10-19(17)24)21(26)23-13(2)14-5-7-15(22)8-6-14/h5-13H,4H2,1-3H3,(H,23,26).
What are the key properties of N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide?
N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide has a molecular weight of 429.31 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 43888757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).