4-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid

C23H24N2O3 — CID 23723064

IUPAC4-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid
SMILESCC(C)C(C)N(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C23H24N2O3/c1-15(2)16(3)25(14-17-8-10-19(11-9-17)23(27)28)22(26)21-13-12-18-6-4-5-7-20(18)24-21/h4-13,15-16H,14H2,1-3H3,(H,27,28)
InChIKeyUYJBKYSRNLCNAA-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.62
Rot. Bonds6

About 4-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid

4-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid (PubChem CID 23723064) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid
PubChem CID23723064
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name4-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid
SMILESCC(C)C(C)N(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc2ccccc2n1
InChIInChI=1S/C23H24N2O3/c1-15(2)16(3)25(14-17-8-10-19(11-9-17)23(27)28)22(26)21-13-12-18-6-4-5-7-20(18)24-21/h4-13,15-16H,14H2,1-3H3,(H,27,28)
InChIKeyUYJBKYSRNLCNAA-UHFFFAOYSA-N
XLogP4.62
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 4-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid (CID 23723064) is 4-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 4-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid is CC(C)C(C)N(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc2ccccc2n1.
What is the InChIKey of 4-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid?
The InChIKey is UYJBKYSRNLCNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15(2)16(3)25(14-17-8-10-19(11-9-17)23(27)28)22(26)21-13-12-18-6-4-5-7-20(18)24-21/h4-13,15-16H,14H2,1-3H3,(H,27,28).
What are the key properties of 4-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid?
4-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid has a molecular weight of 376.46 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methylbutan-2-yl(quinoline-2-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 23723064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).