5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid

C22H28N2O4 — CID 122056451

IUPAC5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid
SMILESCn1c(=O)cc(C(=O)NC(CCC(=O)O)CC2CCCCC2)c2ccccc21
InChIInChI=1S/C22H28N2O4/c1-24-19-10-6-5-9-17(19)18(14-20(24)25)22(28)23-16(11-12-21(26)27)13-15-7-3-2-4-8-15/h5-6,9-10,14-16H,2-4,7-8,11-13H2,1H3,(H,23,28)(H,26,27)
InChIKeyFRCQLVJYINEOKO-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.47
Rot. Bonds7

About 5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid

5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid (PubChem CID 122056451) has the molecular formula C22H28N2O4 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid
PubChem CID122056451
Molecular FormulaC22H28N2O4
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid
SMILESCn1c(=O)cc(C(=O)NC(CCC(=O)O)CC2CCCCC2)c2ccccc21
InChIInChI=1S/C22H28N2O4/c1-24-19-10-6-5-9-17(19)18(14-20(24)25)22(28)23-16(11-12-21(26)27)13-15-7-3-2-4-8-15/h5-6,9-10,14-16H,2-4,7-8,11-13H2,1H3,(H,23,28)(H,26,27)
InChIKeyFRCQLVJYINEOKO-UHFFFAOYSA-N
XLogP3.47
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid (CID 122056451) is 5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid is Cn1c(=O)cc(C(=O)NC(CCC(=O)O)CC2CCCCC2)c2ccccc21.
What is the InChIKey of 5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid?
The InChIKey is FRCQLVJYINEOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O4/c1-24-19-10-6-5-9-17(19)18(14-20(24)25)22(28)23-16(11-12-21(26)27)13-15-7-3-2-4-8-15/h5-6,9-10,14-16H,2-4,7-8,11-13H2,1H3,(H,23,28)(H,26,27).
What are the key properties of 5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid?
5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid has a molecular weight of 384.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-4-[(1-methyl-2-oxoquinoline-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 122056451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).