8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one

C16H21NO6 — CID 139588702

IUPAC8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOC1C(C)OC(Oc2cccc3c2NC(=O)CC3)C(O)C1O
InChIInChI=1S/C16H21NO6/c1-8-15(21-2)13(19)14(20)16(22-8)23-10-5-3-4-9-6-7-11(18)17-12(9)10/h3-5,8,13-16,19-20H,6-7H2,1-2H3,(H,17,18)
InChIKeyIYMQKDCNKPOJCA-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.43
Rot. Bonds3

About 8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one

8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one (PubChem CID 139588702) has the molecular formula C16H21NO6 and a molecular weight of 323.35 g/mol. Its IUPAC name is 8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
PubChem CID139588702
Molecular FormulaC16H21NO6
Molecular Weight323.35 g/mol
Exact Mass323.14
IUPAC Name8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one
SMILESCOC1C(C)OC(Oc2cccc3c2NC(=O)CC3)C(O)C1O
InChIInChI=1S/C16H21NO6/c1-8-15(21-2)13(19)14(20)16(22-8)23-10-5-3-4-9-6-7-11(18)17-12(9)10/h3-5,8,13-16,19-20H,6-7H2,1-2H3,(H,17,18)
InChIKeyIYMQKDCNKPOJCA-UHFFFAOYSA-N
XLogP0.43
TPSA97.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one (CID 139588702) is 8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one is COC1C(C)OC(Oc2cccc3c2NC(=O)CC3)C(O)C1O.
What is the InChIKey of 8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is IYMQKDCNKPOJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6/c1-8-15(21-2)13(19)14(20)16(22-8)23-10-5-3-4-9-6-7-11(18)17-12(9)10/h3-5,8,13-16,19-20H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one?
8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 323.35 g/mol, XLogP of 0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 139588702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).