4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one

C16H19NO4 — CID 171905311

IUPAC4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one
SMILESC=C(Oc1cc(=O)[nH]c2ccccc12)C(C)CCC(O)O
InChIInChI=1S/C16H19NO4/c1-10(7-8-16(19)20)11(2)21-14-9-15(18)17-13-6-4-3-5-12(13)14/h3-6,9-10,16,19-20H,2,7-8H2,1H3,(H,17,18)
InChIKeyDFCILYWDCWPGJM-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.15
Rot. Bonds6

About 4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one

4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one (PubChem CID 171905311) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one
PubChem CID171905311
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one
SMILESC=C(Oc1cc(=O)[nH]c2ccccc12)C(C)CCC(O)O
InChIInChI=1S/C16H19NO4/c1-10(7-8-16(19)20)11(2)21-14-9-15(18)17-13-6-4-3-5-12(13)14/h3-6,9-10,16,19-20H,2,7-8H2,1H3,(H,17,18)
InChIKeyDFCILYWDCWPGJM-UHFFFAOYSA-N
XLogP2.15
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2-oxo-1H-quinolin-4-yl) 4-methylbenzoate
CID 73056961
4-[(E)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]-1H-quinolin-2-one
CID 5338262
4-prop-2-ynoxy-1H-quinolin-2-one
CID 46886224
4-(4-acetylphenoxy)-1H-quinolin-2-one
CID 59237524
4-(3,4-dimethylphenoxy)-1H-quinolin-2-one
CID 59237419
4-prop-2-enyl-1H-quinolin-2-one
CID 66696786
9H-carbazole;propane-1,1-diol
CID 19846299
2-methyl-3-[1-(2-oxo-1H-quinoline-4-carbonyl)piperidin-3-yl]propanoic acid
CID 166310383
(6-methyl-2-oxo-1H-quinolin-4-yl) benzoate
CID 3267890
N-[(2S)-butan-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 94065123
N-methylmethanamine;4-methyl-1H-quinolin-2-one
CID 143468896
ethane;4-methyl-1H-quinolin-2-one;molecular hydrogen
CID 142225291

Frequently Asked Questions

What is the IUPAC name of 4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one?
The IUPAC name of 4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one (CID 171905311) is 4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one.
What is the SMILES notation for 4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one?
The canonical SMILES for 4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one is C=C(Oc1cc(=O)[nH]c2ccccc12)C(C)CCC(O)O.
What is the InChIKey of 4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one?
The InChIKey is DFCILYWDCWPGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-10(7-8-16(19)20)11(2)21-14-9-15(18)17-13-6-4-3-5-12(13)14/h3-6,9-10,16,19-20H,2,7-8H2,1H3,(H,17,18).
What are the key properties of 4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one?
4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one has a molecular weight of 289.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-dihydroxy-3-methylhex-1-en-2-yl)oxy-1H-quinolin-2-one is sourced from PubChem (CID 171905311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).