3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one

C24H22N2O3 — CID 20789925

IUPAC3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one
SMILESCc1ccc2c(c1)Oc1cc(C)c(NC(C)C)cc1C21OC(=O)c2cccnc21
InChIInChI=1S/C24H22N2O3/c1-13(2)26-19-12-18-21(11-15(19)4)28-20-10-14(3)7-8-17(20)24(18)22-16(23(27)29-24)6-5-9-25-22/h5-13,26H,1-4H3
InChIKeyXHIDNXHUQXLEFL-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.09
Rot. Bonds2

About 3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one

3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one (PubChem CID 20789925) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one.

Molecular Properties

Compound Name3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one
PubChem CID20789925
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one
SMILESCc1ccc2c(c1)Oc1cc(C)c(NC(C)C)cc1C21OC(=O)c2cccnc21
InChIInChI=1S/C24H22N2O3/c1-13(2)26-19-12-18-21(11-15(19)4)28-20-10-14(3)7-8-17(20)24(18)22-16(23(27)29-24)6-5-9-25-22/h5-13,26H,1-4H3
InChIKeyXHIDNXHUQXLEFL-UHFFFAOYSA-N
XLogP5.09
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7,7-bis(2,4-dimethylphenyl)furo[3,4-b]pyridin-5-one
CID 59881547
3'-methyl-6'-propan-2-ylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 58112656
7,7-bis[4-(dibutylamino)-2-methylphenyl]furo[3,4-b]pyridin-5-one
CID 139790074
3'-methyl-6'-(2-methylpropoxy)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 159193234
2'-anilino-3'-methyl-6'-(4-propan-2-ylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139806322
2'-anilino-6'-(dimethylamino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one;carbanide;ethane;yttrium
CID 165104896
6'-[bis(2-methylpropyl)amino]-2'-(4-chloroanilino)-3'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one
CID 155703291
7,7-bis[4-(dipropylamino)-2-ethoxyphenyl]furo[3,4-b]pyridin-5-one
CID 139834048
4-(2,5-dimethylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 70408753
(3E,4E)-3,4-di(ethylidene)-3',6'-dimethylspiro[oxolane-5,9'-xanthene]-2-one
CID 142010188
6'-(dipentylamino)-3'-methyl-2'-(3-methylanilino)spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139789397
2'-anilino-3'-methyl-6'-[octyl(propan-2-yl)amino]spiro[2-benzofuran-3,9'-xanthene]-1-one
CID 139833516

Frequently Asked Questions

What is the IUPAC name of 3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one?
The IUPAC name of 3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one (CID 20789925) is 3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one.
What is the SMILES notation for 3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one?
The canonical SMILES for 3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one is Cc1ccc2c(c1)Oc1cc(C)c(NC(C)C)cc1C21OC(=O)c2cccnc21.
What is the InChIKey of 3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one?
The InChIKey is XHIDNXHUQXLEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-13(2)26-19-12-18-21(11-15(19)4)28-20-10-14(3)7-8-17(20)24(18)22-16(23(27)29-24)6-5-9-25-22/h5-13,26H,1-4H3.
What are the key properties of 3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one?
3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one has a molecular weight of 386.45 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3',6'-dimethyl-2'-(propan-2-ylamino)spiro[furo[3,4-b]pyridine-7,9'-xanthene]-5-one is sourced from PubChem (CID 20789925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).