N-hydroxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]quinoline-3-carboxamide

C19H22N2O3 — CID 58525554

IUPACN-hydroxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]quinoline-3-carboxamide
SMILESCC1(C(=O)Cc2ccc3ncc(C(=O)NO)cc3c2)CCCCC1
InChIInChI=1S/C19H22N2O3/c1-19(7-3-2-4-8-19)17(22)10-13-5-6-16-14(9-13)11-15(12-20-16)18(23)21-24/h5-6,9,11-12,24H,2-4,7-8,10H2,1H3,(H,21,23)
InChIKeyDWLTVECAAIJVQL-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.44
Rot. Bonds4

About N-hydroxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]quinoline-3-carboxamide

N-hydroxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]quinoline-3-carboxamide (PubChem CID 58525554) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-hydroxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]quinoline-3-carboxamide
PubChem CID58525554
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-hydroxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]quinoline-3-carboxamide
SMILESCC1(C(=O)Cc2ccc3ncc(C(=O)NO)cc3c2)CCCCC1
InChIInChI=1S/C19H22N2O3/c1-19(7-3-2-4-8-19)17(22)10-13-5-6-16-14(9-13)11-15(12-20-16)18(23)21-24/h5-6,9,11-12,24H,2-4,7-8,10H2,1H3,(H,21,23)
InChIKeyDWLTVECAAIJVQL-UHFFFAOYSA-N
XLogP3.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]quinoline-3-carboxamide?
The IUPAC name of N-hydroxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]quinoline-3-carboxamide (CID 58525554) is N-hydroxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]quinoline-3-carboxamide.
What is the SMILES notation for N-hydroxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]quinoline-3-carboxamide?
The canonical SMILES for N-hydroxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]quinoline-3-carboxamide is CC1(C(=O)Cc2ccc3ncc(C(=O)NO)cc3c2)CCCCC1.
What is the InChIKey of N-hydroxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]quinoline-3-carboxamide?
The InChIKey is DWLTVECAAIJVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-19(7-3-2-4-8-19)17(22)10-13-5-6-16-14(9-13)11-15(12-20-16)18(23)21-24/h5-6,9,11-12,24H,2-4,7-8,10H2,1H3,(H,21,23).
What are the key properties of N-hydroxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]quinoline-3-carboxamide?
N-hydroxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]quinoline-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[2-(1-methylcyclohexyl)-2-oxoethyl]quinoline-3-carboxamide is sourced from PubChem (CID 58525554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).