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

C20H18ClFN2O2 — CID 3528542

IUPAC2-chloro-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-6-fluorobenzamide
SMILESCc1cc2cc(CCNC(=O)c3c(F)cccc3Cl)c(=O)[nH]c2cc1C
InChIInChI=1S/C20H18ClFN2O2/c1-11-8-14-10-13(19(25)24-17(14)9-12(11)2)6-7-23-20(26)18-15(21)4-3-5-16(18)22/h3-5,8-10H,6-7H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyGNLDNCSIZVKXOZ-UHFFFAOYSA-N
MW372.83 g/mol
LogP3.91
Rot. Bonds4

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

2-chloro-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-6-fluorobenzamide (PubChem CID 3528542) has the molecular formula C20H18ClFN2O2 and a molecular weight of 372.83 g/mol. Its IUPAC name is 2-chloro-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-6-fluorobenzamide
PubChem CID3528542
Molecular FormulaC20H18ClFN2O2
Molecular Weight372.83 g/mol
Exact Mass372.10
IUPAC Name2-chloro-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-6-fluorobenzamide
SMILESCc1cc2cc(CCNC(=O)c3c(F)cccc3Cl)c(=O)[nH]c2cc1C
InChIInChI=1S/C20H18ClFN2O2/c1-11-8-14-10-13(19(25)24-17(14)9-12(11)2)6-7-23-20(26)18-15(21)4-3-5-16(18)22/h3-5,8-10H,6-7H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyGNLDNCSIZVKXOZ-UHFFFAOYSA-N
XLogP3.91
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.83
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-6-fluorobenzamide (CID 3528542) is 2-chloro-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-6-fluorobenzamide is Cc1cc2cc(CCNC(=O)c3c(F)cccc3Cl)c(=O)[nH]c2cc1C.
What is the InChIKey of 2-chloro-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-6-fluorobenzamide?
The InChIKey is GNLDNCSIZVKXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O2/c1-11-8-14-10-13(19(25)24-17(14)9-12(11)2)6-7-23-20(26)18-15(21)4-3-5-16(18)22/h3-5,8-10H,6-7H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-chloro-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-6-fluorobenzamide?
2-chloro-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-6-fluorobenzamide has a molecular weight of 372.83 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-6-fluorobenzamide is sourced from PubChem (CID 3528542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).