6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid

C22H24N2O4 — CID 66887769

IUPAC6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
SMILESCCc1ccccc1C(NC)c1ccc2c(c1)c(=O)c(C(=O)O)cn2CCO
InChIInChI=1S/C22H24N2O4/c1-3-14-6-4-5-7-16(14)20(23-2)15-8-9-19-17(12-15)21(26)18(22(27)28)13-24(19)10-11-25/h4-9,12-13,20,23,25H,3,10-11H2,1-2H3,(H,27,28)
InChIKeyOEEQRBDZKBOBFT-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.56
Rot. Bonds7

About 6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid

6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid (PubChem CID 66887769) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
PubChem CID66887769
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
SMILESCCc1ccccc1C(NC)c1ccc2c(c1)c(=O)c(C(=O)O)cn2CCO
InChIInChI=1S/C22H24N2O4/c1-3-14-6-4-5-7-16(14)20(23-2)15-8-9-19-17(12-15)21(26)18(22(27)28)13-24(19)10-11-25/h4-9,12-13,20,23,25H,3,10-11H2,1-2H3,(H,27,28)
InChIKeyOEEQRBDZKBOBFT-UHFFFAOYSA-N
XLogP2.56
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid with MolForge

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Related Compounds

6-[(2-bromophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
CID 5277019
1-(2-hydroxyethyl)-6-[[2-(methylsulfamoyl)phenyl]methyl]-4-oxoquinoline-3-carboxylic acid
CID 23083952
7-fluoro-6-[(2-fluoro-3-iodophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid
CID 70807612
6-chloro-4-oxo-1-pentylquinoline-3-carboxylic acid
CID 23635151
butane;6-[(2-chloro-6-fluorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxo-7-sulfanylquinoline-3-carboxylic acid
CID 143139587
1-(2-ethylphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 115809291
1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 82244448
6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxy-2-phenylethyl)-4-oxoquinoline-3-carboxylic acid
CID 5277010
6-[(2,3-dichlorophenyl)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylate
CID 58801769
6-[(2,4-dichlorophenyl)methyl]-1-(4-hydroxybutyl)-4-oxoquinoline-3-carboxylic acid
CID 25034433
1-(3-hydroxy-3-methylbutyl)-4-oxoquinoline-3-carboxylic acid
CID 79354862
methyl 2-[1-(2-hydroxyethyl)-5-propan-2-ylindol-3-yl]acetate
CID 83944998

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid (CID 66887769) is 6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid is CCc1ccccc1C(NC)c1ccc2c(c1)c(=O)c(C(=O)O)cn2CCO.
What is the InChIKey of 6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
The InChIKey is OEEQRBDZKBOBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-14-6-4-5-7-16(14)20(23-2)15-8-9-19-17(12-15)21(26)18(22(27)28)13-24(19)10-11-25/h4-9,12-13,20,23,25H,3,10-11H2,1-2H3,(H,27,28).
What are the key properties of 6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid?
6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid has a molecular weight of 380.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylphenyl)-(methylamino)methyl]-1-(2-hydroxyethyl)-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 66887769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).