(9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one

C22H23NO4 — CID 27879292

IUPAC(9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one
SMILESCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C22H23NO4/c1-25-14-9-7-13(8-10-14)21-15-11-19(26-2)20(27-3)12-17(15)23-16-5-4-6-18(24)22(16)21/h7-12,21,23H,4-6H2,1-3H3/t21-/m0/s1
InChIKeyAMQPTTPKCKUMLJ-NRFANRHFSA-N
MW365.43 g/mol
LogP4.28
Rot. Bonds4

About (9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one

(9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one (PubChem CID 27879292) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is (9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one.

Molecular Properties

Compound Name(9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one
PubChem CID27879292
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name(9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one
SMILESCOc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C22H23NO4/c1-25-14-9-7-13(8-10-14)21-15-11-19(26-2)20(27-3)12-17(15)23-16-5-4-6-18(24)22(16)21/h7-12,21,23H,4-6H2,1-3H3/t21-/m0/s1
InChIKeyAMQPTTPKCKUMLJ-NRFANRHFSA-N
XLogP4.28
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(9R)-9-[4-(diethylamino)phenyl]-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27879337
(10S)-10-(4-methoxyphenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 27879134
(9S)-9-(3-bromophenyl)-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27879353
(9R)-6,7-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27879417
(9S)-9-(2,3-dimethoxyphenyl)-6,7-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27879316
(10R)-10-(2,4,5-trimethoxyphenyl)-6,7,8,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-b]quinolin-9-one
CID 27879512
9-(4-chlorophenyl)-6,7-dimethoxy-3,3-dimethyl-2,4,9,10-tetrahydroacridin-1-one
CID 2952417
3-acetyl-4-(4-methoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 14955184
12-(2,5-dimethoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
CID 6488260
(9R)-6,7-dimethoxy-9-phenyl-4,9-dihydro-3H-furo[3,4-b]quinolin-1-one
CID 102133784
(9R)-9-(3-fluorophenyl)-6,8-dimethoxy-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27881721
(4S)-4-(3,4-dimethoxyphenyl)-2,4,6,7,8,9-hexahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 27878187

Frequently Asked Questions

What is the IUPAC name of (9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one?
The IUPAC name of (9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one (CID 27879292) is (9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one.
What is the SMILES notation for (9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one?
The canonical SMILES for (9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one is COc1ccc([C@@H]2C3=C(CCCC3=O)Nc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of (9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one?
The InChIKey is AMQPTTPKCKUMLJ-NRFANRHFSA-N. The full InChI is InChI=1S/C22H23NO4/c1-25-14-9-7-13(8-10-14)21-15-11-19(26-2)20(27-3)12-17(15)23-16-5-4-6-18(24)22(16)21/h7-12,21,23H,4-6H2,1-3H3/t21-/m0/s1.
What are the key properties of (9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one?
(9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one has a molecular weight of 365.43 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-6,7-dimethoxy-9-(4-methoxyphenyl)-3,4,9,10-tetrahydro-2H-acridin-1-one is sourced from PubChem (CID 27879292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).