4-amino-6-ethyl-5-[2-[(2-fluorobenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid

C24H26FN3O4 — CID 67434169

IUPAC4-amino-6-ethyl-5-[2-[(2-fluorobenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
SMILESCCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OCC(C)(C)NC(=O)c1ccccc1F
InChIInChI=1S/C24H26FN3O4/c1-5-14-10-11-17-19(20(26)18(23(30)31)13(2)27-17)21(14)32-12-24(3,4)28-22(29)15-8-6-7-9-16(15)25/h6-11H,5,12H2,1-4H3,(H2,26,27)(H,28,29)(H,30,31)
InChIKeyHRKBEHBTDDNNTR-UHFFFAOYSA-N
MW439.49 g/mol
LogP4.11
Rot. Bonds7

About 4-amino-6-ethyl-5-[2-[(2-fluorobenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid

4-amino-6-ethyl-5-[2-[(2-fluorobenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid (PubChem CID 67434169) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is 4-amino-6-ethyl-5-[2-[(2-fluorobenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-ethyl-5-[2-[(2-fluorobenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
PubChem CID67434169
Molecular FormulaC24H26FN3O4
Molecular Weight439.49 g/mol
Exact Mass439.19
IUPAC Name4-amino-6-ethyl-5-[2-[(2-fluorobenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid
SMILESCCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OCC(C)(C)NC(=O)c1ccccc1F
InChIInChI=1S/C24H26FN3O4/c1-5-14-10-11-17-19(20(26)18(23(30)31)13(2)27-17)21(14)32-12-24(3,4)28-22(29)15-8-6-7-9-16(15)25/h6-11H,5,12H2,1-4H3,(H2,26,27)(H,28,29)(H,30,31)
InChIKeyHRKBEHBTDDNNTR-UHFFFAOYSA-N
XLogP4.11
TPSA114.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-ethyl-5-[2-[(2-fluorobenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid?
The IUPAC name of 4-amino-6-ethyl-5-[2-[(2-fluorobenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid (CID 67434169) is 4-amino-6-ethyl-5-[2-[(2-fluorobenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid.
What is the SMILES notation for 4-amino-6-ethyl-5-[2-[(2-fluorobenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid?
The canonical SMILES for 4-amino-6-ethyl-5-[2-[(2-fluorobenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid is CCc1ccc2nc(C)c(C(=O)O)c(N)c2c1OCC(C)(C)NC(=O)c1ccccc1F.
What is the InChIKey of 4-amino-6-ethyl-5-[2-[(2-fluorobenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid?
The InChIKey is HRKBEHBTDDNNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4/c1-5-14-10-11-17-19(20(26)18(23(30)31)13(2)27-17)21(14)32-12-24(3,4)28-22(29)15-8-6-7-9-16(15)25/h6-11H,5,12H2,1-4H3,(H2,26,27)(H,28,29)(H,30,31).
What are the key properties of 4-amino-6-ethyl-5-[2-[(2-fluorobenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid?
4-amino-6-ethyl-5-[2-[(2-fluorobenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid has a molecular weight of 439.49 g/mol, XLogP of 4.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-ethyl-5-[2-[(2-fluorobenzoyl)amino]-2-methylpropoxy]-2-methylquinoline-3-carboxylic acid is sourced from PubChem (CID 67434169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).