5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide

C22H23FN2O5 — CID 67465371

IUPAC5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c(C(=O)NCCO)[nH]c12
InChIInChI=1S/C22H23FN2O5/c1-3-12-30-16-9-8-15(23)18-19(16)25-20(22(28)24-10-11-26)17(21(18)27)13-4-6-14(29-2)7-5-13/h4-9,26H,3,10-12H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyZXCZXDPAULOIDI-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.85
Rot. Bonds8

About 5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide

5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide (PubChem CID 67465371) has the molecular formula C22H23FN2O5 and a molecular weight of 414.43 g/mol. Its IUPAC name is 5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide
PubChem CID67465371
Molecular FormulaC22H23FN2O5
Molecular Weight414.43 g/mol
Exact Mass414.16
IUPAC Name5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide
SMILESCCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c(C(=O)NCCO)[nH]c12
InChIInChI=1S/C22H23FN2O5/c1-3-12-30-16-9-8-15(23)18-19(16)25-20(22(28)24-10-11-26)17(21(18)27)13-4-6-14(29-2)7-5-13/h4-9,26H,3,10-12H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyZXCZXDPAULOIDI-UHFFFAOYSA-N
XLogP2.85
TPSA100.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-2-(hydroxymethyl)-3-(4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one
CID 58492441
3-(4-ethylphenyl)-5-fluoro-2-methyl-8-propoxy-1H-quinolin-4-one
CID 66917329
5-fluoro-3-(4-methoxyphenyl)-2-[(4-methyl-1,4-diazepan-1-yl)methyl]-8-propoxy-1H-quinolin-4-one
CID 58492580
N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide
CID 154461103
methyl 4-(5-fluoro-4-oxo-8-propoxy-1H-quinolin-3-yl)benzoate
CID 66917193
2-chloro-N-[3-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]propyl]acetamide
CID 58492561
8-ethoxy-5-fluoro-3-(4-methoxyphenyl)-1H-quinolin-4-one
CID 25165676
3-(4-methoxyphenyl)-8-methyl-5-propoxy-1H-quinolin-4-one
CID 58465292
(2S)-2,6-diamino-N-[2-[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]ethyl]hexanamide
CID 67461733
5-fluoro-3-(3-fluoro-4-methoxyphenyl)-8-propoxy-1H-quinolin-4-one
CID 66917298
[5-fluoro-3-(4-methoxyphenyl)-4-oxo-8-propoxyquinolin-1-yl]methyl 2-phosphonooxyacetate
CID 58492511
1-(2-ethoxyethyl)-5-fluoro-3-(4-methoxyphenyl)-8-propoxyquinolin-4-one
CID 66917324

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide?
The IUPAC name of 5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide (CID 67465371) is 5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide.
What is the SMILES notation for 5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide?
The canonical SMILES for 5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide is CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)c(C(=O)NCCO)[nH]c12.
What is the InChIKey of 5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide?
The InChIKey is ZXCZXDPAULOIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O5/c1-3-12-30-16-9-8-15(23)18-19(16)25-20(22(28)24-10-11-26)17(21(18)27)13-4-6-14(29-2)7-5-13/h4-9,26H,3,10-12H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide?
5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 2.85, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-hydroxyethyl)-3-(4-methoxyphenyl)-4-oxo-8-propoxy-1H-quinoline-2-carboxamide is sourced from PubChem (CID 67465371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).