methyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate

C22H21FN2O4 — CID 59846164

IUPACmethyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate
SMILESCOC(=O)c1c(CN2CCOCC2)c(=O)c2ccc(F)cc2n1-c1ccccc1
InChIInChI=1S/C22H21FN2O4/c1-28-22(27)20-18(14-24-9-11-29-12-10-24)21(26)17-8-7-15(23)13-19(17)25(20)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyDODXRPDCYJJXKJ-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.75
Rot. Bonds4

About methyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate

methyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate (PubChem CID 59846164) has the molecular formula C22H21FN2O4 and a molecular weight of 396.42 g/mol. Its IUPAC name is methyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate
PubChem CID59846164
Molecular FormulaC22H21FN2O4
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC Namemethyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate
SMILESCOC(=O)c1c(CN2CCOCC2)c(=O)c2ccc(F)cc2n1-c1ccccc1
InChIInChI=1S/C22H21FN2O4/c1-28-22(27)20-18(14-24-9-11-29-12-10-24)21(26)17-8-7-15(23)13-19(17)25(20)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3
InChIKeyDODXRPDCYJJXKJ-UHFFFAOYSA-N
XLogP2.75
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate?
The IUPAC name of methyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate (CID 59846164) is methyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate.
What is the SMILES notation for methyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate?
The canonical SMILES for methyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate is COC(=O)c1c(CN2CCOCC2)c(=O)c2ccc(F)cc2n1-c1ccccc1.
What is the InChIKey of methyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate?
The InChIKey is DODXRPDCYJJXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O4/c1-28-22(27)20-18(14-24-9-11-29-12-10-24)21(26)17-8-7-15(23)13-19(17)25(20)16-5-3-2-4-6-16/h2-8,13H,9-12,14H2,1H3.
What are the key properties of methyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate?
methyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate has a molecular weight of 396.42 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-3-(morpholin-4-ylmethyl)-4-oxo-1-phenylquinoline-2-carboxylate is sourced from PubChem (CID 59846164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).