N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide

C19H16ClFN2O3 — CID 110415543

IUPACN-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide
SMILESCOc1cc2cc(CCNC(=O)c3ccc(F)cc3)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C19H16ClFN2O3/c1-26-17-9-13-8-12(19(25)23-16(13)10-15(17)20)6-7-22-18(24)11-2-4-14(21)5-3-11/h2-5,8-10H,6-7H2,1H3,(H,22,24)(H,23,25)
InChIKeyIXOCSCUUSLJTFF-UHFFFAOYSA-N
MW374.80 g/mol
LogP3.30
Rot. Bonds5

About N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide

N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide (PubChem CID 110415543) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide
PubChem CID110415543
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC NameN-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide
SMILESCOc1cc2cc(CCNC(=O)c3ccc(F)cc3)c(=O)[nH]c2cc1Cl
InChIInChI=1S/C19H16ClFN2O3/c1-26-17-9-13-8-12(19(25)23-16(13)10-15(17)20)6-7-22-18(24)11-2-4-14(21)5-3-11/h2-5,8-10H,6-7H2,1H3,(H,22,24)(H,23,25)
InChIKeyIXOCSCUUSLJTFF-UHFFFAOYSA-N
XLogP3.30
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
1-tert-butyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110662896
1-benzyl-3-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]urea
CID 110415585
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 4182872
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide
CID 110326115
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]cyclohexanecarboxamide
CID 110415534
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110326136
1-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(oxan-4-yl)urea
CID 110609264
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 110416036
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326012
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide (CID 110415543) is N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide is COc1cc2cc(CCNC(=O)c3ccc(F)cc3)c(=O)[nH]c2cc1Cl.
What is the InChIKey of N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide?
The InChIKey is IXOCSCUUSLJTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-26-17-9-13-8-12(19(25)23-16(13)10-15(17)20)6-7-22-18(24)11-2-4-14(21)5-3-11/h2-5,8-10H,6-7H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide?
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide has a molecular weight of 374.80 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 110415543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).