N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide

C20H19FN2O4 — CID 110326115

IUPACN-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide
SMILESCOc1cc2cc(CCNC(=O)c3ccccc3F)c(=O)[nH]c2cc1OC
InChIInChI=1S/C20H19FN2O4/c1-26-17-10-13-9-12(19(24)23-16(13)11-18(17)27-2)7-8-22-20(25)14-5-3-4-6-15(14)21/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyCYNZMUIIHBTDED-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.66
Rot. Bonds6

About N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide

N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide (PubChem CID 110326115) has the molecular formula C20H19FN2O4 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide
PubChem CID110326115
Molecular FormulaC20H19FN2O4
Molecular Weight370.38 g/mol
Exact Mass370.13
IUPAC NameN-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide
SMILESCOc1cc2cc(CCNC(=O)c3ccccc3F)c(=O)[nH]c2cc1OC
InChIInChI=1S/C20H19FN2O4/c1-26-17-10-13-9-12(19(24)23-16(13)11-18(17)27-2)7-8-22-20(25)14-5-3-4-6-15(14)21/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyCYNZMUIIHBTDED-UHFFFAOYSA-N
XLogP2.66
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326133
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326114
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
CID 4077939
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110326136
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide
CID 110789797
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide
CID 110415543
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 4182872
2,3,4-trifluoro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110325968
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009
1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110415585
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-fluorophenyl)-1-(2-phenylethyl)urea
CID 1437319
3,5-dimethoxy-N-[2-(2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110325623

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide (CID 110326115) is N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide is COc1cc2cc(CCNC(=O)c3ccccc3F)c(=O)[nH]c2cc1OC.
What is the InChIKey of N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide?
The InChIKey is CYNZMUIIHBTDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4/c1-26-17-10-13-9-12(19(24)23-16(13)11-18(17)27-2)7-8-22-20(25)14-5-3-4-6-15(14)21/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide?
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide has a molecular weight of 370.38 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 110326115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).