(4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol

C24H26N2O3 — CID 154126524

IUPAC(4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol
SMILESCOc1cccc2cc3c(nc12)C[C@]1(c2cccc(O)c2)CCN(C)C[C@@]1(O)C3
InChIInChI=1S/C24H26N2O3/c1-26-10-9-23(18-6-4-7-19(27)12-18)14-20-17(13-24(23,28)15-26)11-16-5-3-8-21(29-2)22(16)25-20/h3-8,11-12,27-28H,9-10,13-15H2,1-2H3/t23-,24-/m0/s1
InChIKeyFNYIDYZKFBYVBU-ZEQRLZLVSA-N
MW390.48 g/mol
LogP3.05
Rot. Bonds2

About (4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol

(4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol (PubChem CID 154126524) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is (4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol.

Molecular Properties

Compound Name(4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol
PubChem CID154126524
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name(4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol
SMILESCOc1cccc2cc3c(nc12)C[C@]1(c2cccc(O)c2)CCN(C)C[C@@]1(O)C3
InChIInChI=1S/C24H26N2O3/c1-26-10-9-23(18-6-4-7-19(27)12-18)14-20-17(13-24(23,28)15-26)11-16-5-3-8-21(29-2)22(16)25-20/h3-8,11-12,27-28H,9-10,13-15H2,1-2H3/t23-,24-/m0/s1
InChIKeyFNYIDYZKFBYVBU-ZEQRLZLVSA-N
XLogP3.05
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4aS,12aR)-4a-(3-hydroxyphenyl)-2,7-dimethyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol
CID 154125888
(4aS,12aR)-7-chloro-4a-(3-methoxyphenyl)-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol
CID 154180894
(4aS,12aR)-9-chloro-4a-(3-hydroxyphenyl)-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol
CID 154196727
(4aS,12aR)-7-chloro-2-(cyclopropylmethyl)-4a-(3-hydroxyphenyl)-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol
CID 154133275
8-fluoro-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol
CID 19435156
(4aS,12aR)-10-bromo-2-(cyclopropylmethyl)-4a-(3-hydroxyphenyl)-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol
CID 154139261
(4aS,11aR)-8-bromo-4a-(3-hydroxyphenyl)-2-methyl-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol
CID 67692968
(1R,14S,15S)-25-methyl-4,25-diazahexacyclo[13.7.3.01,14.03,12.05,10.017,22]pentacosa-3(12),4,6,8,10,17(22),18,20-octaene-6,14,20-triol;hydrochloride
CID 71503289
(4aS,12aR)-9-bromo-2-(cyclopropylmethyl)-4a-(3-methoxyphenyl)-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol
CID 154139101
3-[(4aS)-2-methyl-1,3,4,5,12,12a-hexahydropyrido[3,4-b]acridin-4a-yl]phenol;dihydrobromide
CID 146157296
(4aS,11aR)-4a-(3-hydroxyphenyl)-2-methyl-9-nitro-1,3,4,5,6,11-hexahydropyrido[4,3-b]carbazol-11a-ol
CID 67693121
(4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol
CID 154131456

Frequently Asked Questions

What is the IUPAC name of (4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol?
The IUPAC name of (4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol (CID 154126524) is (4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol.
What is the SMILES notation for (4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol?
The canonical SMILES for (4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol is COc1cccc2cc3c(nc12)C[C@]1(c2cccc(O)c2)CCN(C)C[C@@]1(O)C3.
What is the InChIKey of (4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol?
The InChIKey is FNYIDYZKFBYVBU-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-26-10-9-23(18-6-4-7-19(27)12-18)14-20-17(13-24(23,28)15-26)11-16-5-3-8-21(29-2)22(16)25-20/h3-8,11-12,27-28H,9-10,13-15H2,1-2H3/t23-,24-/m0/s1.
What are the key properties of (4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol?
(4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol has a molecular weight of 390.48 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol is sourced from PubChem (CID 154126524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).