7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one

C23H24N2O6 — CID 129100515

IUPAC7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one
SMILESCOC1OC2COC(c3ccccc3)OC2C(O)C1Nc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C23H24N2O6/c1-28-23-19(24-15-9-7-13-8-10-18(26)25-16(13)11-15)20(27)21-17(30-23)12-29-22(31-21)14-5-3-2-4-6-14/h2-11,17,19-24,27H,12H2,1H3,(H,25,26)
InChIKeyACAFZOCANOMKJB-UHFFFAOYSA-N
MW424.45 g/mol
LogP2.15
Rot. Bonds4

About 7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one

7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one (PubChem CID 129100515) has the molecular formula C23H24N2O6 and a molecular weight of 424.45 g/mol. Its IUPAC name is 7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one
PubChem CID129100515
Molecular FormulaC23H24N2O6
Molecular Weight424.45 g/mol
Exact Mass424.16
IUPAC Name7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one
SMILESCOC1OC2COC(c3ccccc3)OC2C(O)C1Nc1ccc2ccc(=O)[nH]c2c1
InChIInChI=1S/C23H24N2O6/c1-28-23-19(24-15-9-7-13-8-10-18(26)25-16(13)11-15)20(27)21-17(30-23)12-29-22(31-21)14-5-3-2-4-6-14/h2-11,17,19-24,27H,12H2,1H3,(H,25,26)
InChIKeyACAFZOCANOMKJB-UHFFFAOYSA-N
XLogP2.15
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one with MolForge

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Related Compounds

7-[[(6S,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]amino]-3-iodochromen-2-one
CID 118450103
7-[[(6S,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]amino]-4-methylchromen-2-one
CID 129100365
N-[(2S,4aR,6S,7R,8R,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 11174707
N-[(6R,7S,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]acetamide
CID 45039740
N-[(2S,4aR,6S,7S,8S,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]benzamide
CID 39355615
N-[(2S,4aR,6R,7R,8S,8aR)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]benzamide
CID 124918908
(2R,4aR,6R,7S,8S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 906007
(2S,4aR,6R,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 86316912
(2R,4aR,6S,7S,8S,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 10468969
(2R,4aR,6S,7R,8R,8aS)-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
CID 643246
N-[(4aR,6R,7R,8R,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]-2,2,2-trichloroacetamide
CID 102419427
phenyl N-[(4aR,6S,7R,8R,8aS)-8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl]carbamate
CID 101482627

Frequently Asked Questions

What is the IUPAC name of 7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one?
The IUPAC name of 7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one (CID 129100515) is 7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one.
What is the SMILES notation for 7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one?
The canonical SMILES for 7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one is COC1OC2COC(c3ccccc3)OC2C(O)C1Nc1ccc2ccc(=O)[nH]c2c1.
What is the InChIKey of 7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one?
The InChIKey is ACAFZOCANOMKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O6/c1-28-23-19(24-15-9-7-13-8-10-18(26)25-16(13)11-15)20(27)21-17(30-23)12-29-22(31-21)14-5-3-2-4-6-14/h2-11,17,19-24,27H,12H2,1H3,(H,25,26).
What are the key properties of 7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one?
7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one has a molecular weight of 424.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(8-hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)amino]-1H-quinolin-2-one is sourced from PubChem (CID 129100515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).