1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol

C23H27NO3 — CID 143045665

IUPAC1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol
SMILESCCCc1ccc2c(c1C)CN(C)C1c3cc4c(cc3CC(O)C21)OCO4
InChIInChI=1S/C23H27NO3/c1-4-5-14-6-7-16-18(13(14)2)11-24(3)23-17-10-21-20(26-12-27-21)9-15(17)8-19(25)22(16)23/h6-7,9-10,19,22-23,25H,4-5,8,11-12H2,1-3H3
InChIKeyCQRPBCHAWUNVBK-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.86
Rot. Bonds2

About 1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol

1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol (PubChem CID 143045665) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol.

Molecular Properties

Compound Name1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol
PubChem CID143045665
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol
SMILESCCCc1ccc2c(c1C)CN(C)C1c3cc4c(cc3CC(O)C21)OCO4
InChIInChI=1S/C23H27NO3/c1-4-5-14-6-7-16-18(13(14)2)11-24(3)23-17-10-21-20(26-12-27-21)9-15(17)8-19(25)22(16)23/h6-7,9-10,19,22-23,25H,4-5,8,11-12H2,1-3H3
InChIKeyCQRPBCHAWUNVBK-UHFFFAOYSA-N
XLogP3.86
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol with MolForge

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Related Compounds

(1S,12S,13R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol;hydrate
CID 6420008
acetylene;24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
CID 142185431
9,13-dimethyl-7,18,20-trioxa-13-aza-9-phosphahexacyclo[12.11.0.02,11.05,10.015,23.017,21]pentacosa-2(11),3,5(10),15,17(21),22-hexaen-25-ol
CID 143045664
24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-12,15-diol
CID 162989599
(1S,12S,13R)-12-ethoxy-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene
CID 10905030
24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-12,23-diol
CID 3637402
(1S,12S,13S,23R)-24-methyl-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaene-12,23-diol
CID 125180753
(1S,12S,13R)-24-methyl-24-oxido-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-ol
CID 21153655
6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,8-dihydrocyclopenta[g][1,3]benzodioxol-7-one
CID 162812198
(6R,7R)-6-butyl-N,N-dimethyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-7-amine;hydrochloride
CID 12950648
2-butyl-4-methyl-3a,4,5,10b-tetrahydro-[1,3]benzodioxolo[6,5-e]isoindole-1,3-dione
CID 134094557
4-[[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]methyl]phenol
CID 22294346

Frequently Asked Questions

What is the IUPAC name of 1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol?
The IUPAC name of 1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol (CID 143045665) is 1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol.
What is the SMILES notation for 1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol?
The canonical SMILES for 1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol is CCCc1ccc2c(c1C)CN(C)C1c3cc4c(cc3CC(O)C21)OCO4.
What is the InChIKey of 1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol?
The InChIKey is CQRPBCHAWUNVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-4-5-14-6-7-16-18(13(14)2)11-24(3)23-17-10-21-20(26-12-27-21)9-15(17)8-19(25)22(16)23/h6-7,9-10,19,22-23,25H,4-5,8,11-12H2,1-3H3.
What are the key properties of 1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol?
1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol has a molecular weight of 365.47 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-dimethyl-2-propyl-5,6,11b,13-tetrahydro-4bH-[1,3]benzodioxolo[5,6-c]phenanthridin-5-ol is sourced from PubChem (CID 143045665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).