4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide

C20H19BrN2O4 — CID 3497039

IUPAC4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
SMILESCOc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(Br)cc3)cc12
InChIInChI=1S/C20H19BrN2O4/c1-26-16-7-8-17(27-2)18-15(16)11-13(20(25)23-18)9-10-22-19(24)12-3-5-14(21)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJQSFRKGBHKNMOE-UHFFFAOYSA-N
MW431.29 g/mol
LogP3.28
Rot. Bonds6

About 4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide

4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide (PubChem CID 3497039) has the molecular formula C20H19BrN2O4 and a molecular weight of 431.29 g/mol. Its IUPAC name is 4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
PubChem CID3497039
Molecular FormulaC20H19BrN2O4
Molecular Weight431.29 g/mol
Exact Mass430.05
IUPAC Name4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
SMILESCOc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(Br)cc3)cc12
InChIInChI=1S/C20H19BrN2O4/c1-26-16-7-8-17(27-2)18-15(16)11-13(20(25)23-18)9-10-22-19(24)12-3-5-14(21)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyJQSFRKGBHKNMOE-UHFFFAOYSA-N
XLogP3.28
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-nitrobenzamide
CID 4163483
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide
CID 5223437
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 5070810
2-chloro-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136765
1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methoxyethyl)thiourea
CID 7080770
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 5197848
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide
CID 4605558
1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-fluorophenyl)thiourea
CID 7137035
N-[2-(5,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 4191562
2,3,4-trifluoro-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110415717
N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylpropanamide
CID 110602465
2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110414437

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide (CID 3497039) is 4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide is COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(Br)cc3)cc12.
What is the InChIKey of 4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
The InChIKey is JQSFRKGBHKNMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O4/c1-26-16-7-8-17(27-2)18-15(16)11-13(20(25)23-18)9-10-22-19(24)12-3-5-14(21)6-4-12/h3-8,11H,9-10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide?
4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide has a molecular weight of 431.29 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide is sourced from PubChem (CID 3497039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).