1-[(2-fluorophenyl)methyl]-4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one

C23H23FN2O4 — CID 42690245

IUPAC1-[(2-fluorophenyl)methyl]-4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one
SMILESCc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)N3CCOCC3)ccc12
InChIInChI=1S/C23H23FN2O4/c1-16-12-22(27)26(14-17-4-2-3-5-20(17)24)21-13-18(6-7-19(16)21)30-15-23(28)25-8-10-29-11-9-25/h2-7,12-13H,8-11,14-15H2,1H3
InChIKeyGRGGEDCFVLTVPB-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.73
Rot. Bonds5

About 1-[(2-fluorophenyl)methyl]-4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one

1-[(2-fluorophenyl)methyl]-4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one (PubChem CID 42690245) has the molecular formula C23H23FN2O4 and a molecular weight of 410.45 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one
PubChem CID42690245
Molecular FormulaC23H23FN2O4
Molecular Weight410.45 g/mol
Exact Mass410.16
IUPAC Name1-[(2-fluorophenyl)methyl]-4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one
SMILESCc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)N3CCOCC3)ccc12
InChIInChI=1S/C23H23FN2O4/c1-16-12-22(27)26(14-17-4-2-3-5-20(17)24)21-13-18(6-7-19(16)21)30-15-23(28)25-8-10-29-11-9-25/h2-7,12-13H,8-11,14-15H2,1H3
InChIKeyGRGGEDCFVLTVPB-UHFFFAOYSA-N
XLogP2.73
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one (CID 42690245) is 1-[(2-fluorophenyl)methyl]-4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one is Cc1cc(=O)n(Cc2ccccc2F)c2cc(OCC(=O)N3CCOCC3)ccc12.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one?
The InChIKey is GRGGEDCFVLTVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O4/c1-16-12-22(27)26(14-17-4-2-3-5-20(17)24)21-13-18(6-7-19(16)21)30-15-23(28)25-8-10-29-11-9-25/h2-7,12-13H,8-11,14-15H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methyl]-4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one?
1-[(2-fluorophenyl)methyl]-4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one has a molecular weight of 410.45 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-4-methyl-7-(2-morpholin-4-yl-2-oxoethoxy)quinolin-2-one is sourced from PubChem (CID 42690245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).