(4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol

C23H24N2O2 — CID 154131456

IUPAC(4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol
SMILESCOc1cccc([C@@]23CCNC[C@@]2(O)Cc2cc4ccccc4nc2C3)c1
InChIInChI=1S/C23H24N2O2/c1-27-19-7-4-6-18(12-19)22-9-10-24-15-23(22,26)13-17-11-16-5-2-3-8-20(16)25-21(17)14-22/h2-8,11-12,24,26H,9-10,13-15H2,1H3/t22-,23-/m0/s1
InChIKeyYQEDKUMMGYJVBH-GOTSBHOMSA-N
MW360.46 g/mol
LogP3.00
Rot. Bonds2

About (4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol

(4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol (PubChem CID 154131456) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is (4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol.

Molecular Properties

Compound Name(4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol
PubChem CID154131456
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name(4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol
SMILESCOc1cccc([C@@]23CCNC[C@@]2(O)Cc2cc4ccccc4nc2C3)c1
InChIInChI=1S/C23H24N2O2/c1-27-19-7-4-6-18(12-19)22-9-10-24-15-23(22,26)13-17-11-16-5-2-3-8-20(16)25-21(17)14-22/h2-8,11-12,24,26H,9-10,13-15H2,1H3/t22-,23-/m0/s1
InChIKeyYQEDKUMMGYJVBH-GOTSBHOMSA-N
XLogP3.00
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol
CID 57075287
(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-bromo-2-(cyclopropylmethyl)-4a-(3-methoxyphenyl)-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol
CID 154139101
(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
CID 124547155
1-[8a-hydroxy-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-6-yl]propan-2-one
CID 57283982
(3S,4S)-4-[(dimethylamino)methyl]-3-(3-methoxyphenyl)-2,4-dihydro-1H-acridin-3-ol
CID 54119499
1-[4-(3-methoxyphenyl)-1-methylpiperidin-4-yl]cyclooctan-1-ol
CID 13363428
(4aS,12aR)-4a-(3-hydroxyphenyl)-7-methoxy-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol
CID 154126524
(4aS,12aR)-9-chloro-4a-(3-hydroxyphenyl)-2-methyl-3,4,5,12-tetrahydro-1H-pyrido[3,4-b]acridin-12a-ol
CID 154196727
5-(3-methoxyphenyl)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 60795066
4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine
CID 116844704
3-[4-(3-methoxyphenyl)phenyl]piperidin-3-ol
CID 19424700

Frequently Asked Questions

What is the IUPAC name of (4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol?
The IUPAC name of (4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol (CID 154131456) is (4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol.
What is the SMILES notation for (4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol?
The canonical SMILES for (4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol is COc1cccc([C@@]23CCNC[C@@]2(O)Cc2cc4ccccc4nc2C3)c1.
What is the InChIKey of (4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol?
The InChIKey is YQEDKUMMGYJVBH-GOTSBHOMSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-27-19-7-4-6-18(12-19)22-9-10-24-15-23(22,26)13-17-11-16-5-2-3-8-20(16)25-21(17)14-22/h2-8,11-12,24,26H,9-10,13-15H2,1H3/t22-,23-/m0/s1.
What are the key properties of (4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol?
(4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol has a molecular weight of 360.46 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,12aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,12-hexahydropyrido[3,4-b]acridin-12a-ol is sourced from PubChem (CID 154131456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).