5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one

C19H28N2O4 — CID 3049542

IUPAC5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one
SMILESC=CCOc1ccc(OCC(O)CNC(C)(C)C)c2c1NC(=O)CC2
InChIInChI=1S/C19H28N2O4/c1-5-10-24-16-8-7-15(14-6-9-17(23)21-18(14)16)25-12-13(22)11-20-19(2,3)4/h5,7-8,13,20,22H,1,6,9-12H2,2-4H3,(H,21,23)
InChIKeyANMZUFYKZZFYKK-UHFFFAOYSA-N
MW348.44 g/mol
LogP2.26
Rot. Bonds8

About 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one

5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 3049542) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID3049542
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one
SMILESC=CCOc1ccc(OCC(O)CNC(C)(C)C)c2c1NC(=O)CC2
InChIInChI=1S/C19H28N2O4/c1-5-10-24-16-8-7-15(14-6-9-17(23)21-18(14)16)25-12-13(22)11-20-19(2,3)4/h5,7-8,13,20,22H,1,6,9-12H2,2-4H3,(H,21,23)
InChIKeyANMZUFYKZZFYKK-UHFFFAOYSA-N
XLogP2.26
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one (CID 3049542) is 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one is C=CCOc1ccc(OCC(O)CNC(C)(C)C)c2c1NC(=O)CC2.
What is the InChIKey of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is ANMZUFYKZZFYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-5-10-24-16-8-7-15(14-6-9-17(23)21-18(14)16)25-12-13(22)11-20-19(2,3)4/h5,7-8,13,20,22H,1,6,9-12H2,2-4H3,(H,21,23).
What are the key properties of 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one?
5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 348.44 g/mol, XLogP of 2.26, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(tert-butylamino)-2-hydroxypropoxy]-8-prop-2-enoxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 3049542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).