N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide

C19H22N2O3 — CID 11631239

IUPACN-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide
SMILESCCC(Oc1ccc2ncccc2c1)C(=O)NC(C)(C)C#CCO
InChIInChI=1S/C19H22N2O3/c1-4-17(18(23)21-19(2,3)10-6-12-22)24-15-8-9-16-14(13-15)7-5-11-20-16/h5,7-9,11,13,17,22H,4,12H2,1-3H3,(H,21,23)
InChIKeyCDBUTXYQEDJAMC-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.28
Rot. Bonds5

About N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide

N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide (PubChem CID 11631239) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide.

Molecular Properties

Compound NameN-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide
PubChem CID11631239
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide
SMILESCCC(Oc1ccc2ncccc2c1)C(=O)NC(C)(C)C#CCO
InChIInChI=1S/C19H22N2O3/c1-4-17(18(23)21-19(2,3)10-6-12-22)24-15-8-9-16-14(13-15)7-5-11-20-16/h5,7-9,11,13,17,22H,4,12H2,1-3H3,(H,21,23)
InChIKeyCDBUTXYQEDJAMC-UHFFFAOYSA-N
XLogP2.28
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide?
The IUPAC name of N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide (CID 11631239) is N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide.
What is the SMILES notation for N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide?
The canonical SMILES for N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide is CCC(Oc1ccc2ncccc2c1)C(=O)NC(C)(C)C#CCO.
What is the InChIKey of N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide?
The InChIKey is CDBUTXYQEDJAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-17(18(23)21-19(2,3)10-6-12-22)24-15-8-9-16-14(13-15)7-5-11-20-16/h5,7-9,11,13,17,22H,4,12H2,1-3H3,(H,21,23).
What are the key properties of N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide?
N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide has a molecular weight of 326.40 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxy-2-methylpent-3-yn-2-yl)-2-quinolin-6-yloxybutanamide is sourced from PubChem (CID 11631239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).