6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane

C23H26FNO6 — CID 143833061

IUPAC6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane
SMILESCCC.COc1cc2c(cc1COc1ccc(F)cc1)c(=O)c(C(=O)O)cn2CCO
InChIInChI=1S/C20H18FNO6.C3H8/c1-27-18-9-17-15(19(24)16(20(25)26)10-22(17)6-7-23)8-12(18)11-28-14-4-2-13(21)3-5-14;1-3-2/h2-5,8-10,23H,6-7,11H2,1H3,(H,25,26);3H2,1-2H3
InChIKeyGYFFTESPBVFTQN-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.84
Rot. Bonds7

About 6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane

6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane (PubChem CID 143833061) has the molecular formula C23H26FNO6 and a molecular weight of 431.46 g/mol. Its IUPAC name is 6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane.

Molecular Properties

Compound Name6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane
PubChem CID143833061
Molecular FormulaC23H26FNO6
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC Name6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane
SMILESCCC.COc1cc2c(cc1COc1ccc(F)cc1)c(=O)c(C(=O)O)cn2CCO
InChIInChI=1S/C20H18FNO6.C3H8/c1-27-18-9-17-15(19(24)16(20(25)26)10-22(17)6-7-23)8-12(18)11-28-14-4-2-13(21)3-5-14;1-3-2/h2-5,8-10,23H,6-7,11H2,1H3,(H,25,26);3H2,1-2H3
InChIKeyGYFFTESPBVFTQN-UHFFFAOYSA-N
XLogP3.84
TPSA97.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane with MolForge

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Related Compounds

1-ethyl-6,7-bis[(4-methoxyphenyl)methoxy]-4-oxoquinoline-3-carboxylic acid
CID 90373650
N-(4-ethoxyphenyl)-2-[3-(4-fluorobenzoyl)-6,7-dimethoxy-4-oxoquinolin-1-yl]acetamide
CID 20868855
1-[(4-fluorophenyl)methyl]-6,7-dimethoxy-3-(4-methoxybenzoyl)quinolin-4-one
CID 20864617
1-(3-hydroxypropyl)-5,6-dimethoxyindole-3-carboxylic acid
CID 83947486
butane;6-[(2-chloro-6-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-7-sulfanylquinoline-3-carboxylic acid
CID 143139587
7-fluoro-6-[(2-fluoro-3-iodophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
CID 70807612
7-ethoxy-6-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 15675271
6-[(2,4-difluorophenyl)methyl]-1-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-7-methoxy-4-oxoquinoline-3-carboxylic acid
CID 58334838
6-[(3-chloro-2-fluorophenyl)methyl]-7-methoxy-1-methyl-4-oxoquinoline-3-carboxylic acid
CID 70807615
6-[(3-chloro-2-fluorophenyl)methyl]-7-(cyclohexylmethoxy)-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
CID 5277095
6-fluoro-1-(2-hydroxyethoxymethyl)-4-oxoquinoline-3-carboxylic acid
CID 15928670
1-[2-(dimethylamino)ethyl]-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248737

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane?
The IUPAC name of 6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane (CID 143833061) is 6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane.
What is the SMILES notation for 6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane?
The canonical SMILES for 6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane is CCC.COc1cc2c(cc1COc1ccc(F)cc1)c(=O)c(C(=O)O)cn2CCO.
What is the InChIKey of 6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane?
The InChIKey is GYFFTESPBVFTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO6.C3H8/c1-27-18-9-17-15(19(24)16(20(25)26)10-22(17)6-7-23)8-12(18)11-28-14-4-2-13(21)3-5-14;1-3-2/h2-5,8-10,23H,6-7,11H2,1H3,(H,25,26);3H2,1-2H3.
What are the key properties of 6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane?
6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane has a molecular weight of 431.46 g/mol, XLogP of 3.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluorophenoxy)methyl]-1-(2-hydroxyethyl)-7-methoxy-4-oxoquinoline-3-carboxylic acid;propane is sourced from PubChem (CID 143833061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).