4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione

C20H25NO4 — CID 162902333

IUPAC4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione
SMILESCC(C)C1=C(O)C(=O)C2=C3NC(=O)C4=C3C(C)(CCC4O)CCC21C
InChIInChI=1S/C20H25NO4/c1-9(2)12-16(23)17(24)14-15-13-11(18(25)21-15)10(22)5-6-19(13,3)7-8-20(12,14)4/h9-10,22-23H,5-8H2,1-4H3,(H,21,25)
InChIKeyFWKOMHSJYZOWQO-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.68
Rot. Bonds1

About 4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione

4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione (PubChem CID 162902333) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione.

Molecular Properties

Compound Name4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione
PubChem CID162902333
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione
SMILESCC(C)C1=C(O)C(=O)C2=C3NC(=O)C4=C3C(C)(CCC4O)CCC21C
InChIInChI=1S/C20H25NO4/c1-9(2)12-16(23)17(24)14-15-13-11(18(25)21-15)10(22)5-6-19(13,3)7-8-20(12,14)4/h9-10,22-23H,5-8H2,1-4H3,(H,21,25)
InChIKeyFWKOMHSJYZOWQO-UHFFFAOYSA-N
XLogP2.68
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione with MolForge

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Related Compounds

9-[2-(2,7-dihydroxy-3a,5a-dimethyl-1,8-dioxo-3-propan-2-yl-4,5,6,7-tetrahydrobenzo[f]azulen-9-yl)ethyl]-2,7-dihydroxy-3a,5a-dimethyl-3-propan-2-yl-4,5,6,7-tetrahydrobenzo[g]azulene-1,8-dione
CID 162853559
(3S,4R,5R,6R,9R,12S)-3,4,12-trihydroxy-6,9-dimethyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,13(16)-dien-14-one
CID 62707591
[(4R,5R,6R,9R,12R)-12-hydroxy-6,9-dimethyl-3,14-dioxo-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadeca-1,13(16)-dien-4-yl] acetate
CID 11984022
(4bS,8aS,10R)-1,10-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,4-dione
CID 2751795
1,10-dihydroxy-8,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydro-4bH-phenanthrene-3,4-dione
CID 5458236
3,4,12-trihydroxy-6,9-dimethyl-5-propan-2-yl-15-oxatetracyclo[7.6.1.02,6.013,16]hexadec-13(16)-en-14-one
CID 162862061
3-hydroxy-3-methyl-6-propan-2-ylcyclohexane-1,2-dione
CID 12972800
4-hydroxy-5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one
CID 98086764
(4bS,8aR)-1,4-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-5,6,7,8a-tetrahydrophenanthrene-3,9-dione
CID 95240147
(1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione
CID 130906162
1-hydroxy-8,8-dimethyl-2-propan-2-yl-5,6,7,8a-tetrahydro-4bH-phenanthrene-3,4-dione
CID 162942763
2-(1,10-dihydroxy-4b,8,8-trimethyl-3,4-dioxo-5,6,7,8a,9,10-hexahydrophenanthren-2-yl)propyl acetate
CID 162931884

Frequently Asked Questions

What is the IUPAC name of 4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione?
The IUPAC name of 4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione (CID 162902333) is 4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione.
What is the SMILES notation for 4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione?
The canonical SMILES for 4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione is CC(C)C1=C(O)C(=O)C2=C3NC(=O)C4=C3C(C)(CCC4O)CCC21C.
What is the InChIKey of 4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione?
The InChIKey is FWKOMHSJYZOWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-9(2)12-16(23)17(24)14-15-13-11(18(25)21-15)10(22)5-6-19(13,3)7-8-20(12,14)4/h9-10,22-23H,5-8H2,1-4H3,(H,21,25).
What are the key properties of 4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione?
4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione has a molecular weight of 343.42 g/mol, XLogP of 2.68, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,12-dihydroxy-6,9-dimethyl-5-propan-2-yl-15-azatetracyclo[7.6.1.02,6.013,16]hexadeca-1,4,13(16)-triene-3,14-dione is sourced from PubChem (CID 162902333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).