(3R,9R)-3-(3,4-dimethoxyphenyl)-6,8-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one

C28H28N2O5 — CID 27881288

IUPAC(3R,9R)-3-(3,4-dimethoxyphenyl)-6,8-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one
SMILESCOc1cc2c(c(OC)c1)[C@@H](c1cccnc1)C1=C(C[C@@H](c3ccc(OC)c(OC)c3)CC1=O)N2
InChIInChI=1S/C28H28N2O5/c1-32-19-13-21-28(25(14-19)35-4)26(17-6-5-9-29-15-17)27-20(30-21)10-18(11-22(27)31)16-7-8-23(33-2)24(12-16)34-3/h5-9,12-15,18,26,30H,10-11H2,1-4H3/t18-,26+/m1/s1
InChIKeyNOQHFWPUGDTGQQ-DWXRJYCRSA-N
MW472.54 g/mol
LogP5.07
Rot. Bonds6

About (3R,9R)-3-(3,4-dimethoxyphenyl)-6,8-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one

(3R,9R)-3-(3,4-dimethoxyphenyl)-6,8-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one (PubChem CID 27881288) has the molecular formula C28H28N2O5 and a molecular weight of 472.54 g/mol. Its IUPAC name is (3R,9R)-3-(3,4-dimethoxyphenyl)-6,8-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one.

Molecular Properties

Compound Name(3R,9R)-3-(3,4-dimethoxyphenyl)-6,8-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one
PubChem CID27881288
Molecular FormulaC28H28N2O5
Molecular Weight472.54 g/mol
Exact Mass472.20
IUPAC Name(3R,9R)-3-(3,4-dimethoxyphenyl)-6,8-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one
SMILESCOc1cc2c(c(OC)c1)[C@@H](c1cccnc1)C1=C(C[C@@H](c3ccc(OC)c(OC)c3)CC1=O)N2
InChIInChI=1S/C28H28N2O5/c1-32-19-13-21-28(25(14-19)35-4)26(17-6-5-9-29-15-17)27-20(30-21)10-18(11-22(27)31)16-7-8-23(33-2)24(12-16)34-3/h5-9,12-15,18,26,30H,10-11H2,1-4H3/t18-,26+/m1/s1
InChIKeyNOQHFWPUGDTGQQ-DWXRJYCRSA-N
XLogP5.07
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(6R,9S)-2-amino-6-(3,4-dimethoxyphenyl)-9-pyridin-3-yl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 135913911
(4S,7S)-7-(3,4-dimethoxyphenyl)-3-methyl-4-phenyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135911331
7-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135910986
(6S,9S)-9-(3,4-dimethoxyphenyl)-6-(3-methoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 1089576
(3S,9R)-6,7-dimethoxy-9-pyridin-3-yl-3-thiophen-2-yl-3,4,9,10-tetrahydro-2H-acridin-1-one
CID 27881425
(4S,7S)-4-(2,4-dimethoxyphenyl)-7-(3,4-dimethoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135911397
9-(2,5-dimethoxyphenyl)-6-pyridin-3-yl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
CID 6499278
(4R,7R)-7-(3,4-dimethoxyphenyl)-4-(3-methoxyphenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-dione
CID 7413591
(4S,7S)-4-(3-bromophenyl)-7-(3,4-dimethoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135911363
(4S,7S)-7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 135911347
(4S,7R)-7-(3,4-dimethoxyphenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
CID 136746331
[2-methoxy-4-[(9S,12S)-11-oxo-9-phenyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-12-yl]phenyl] acetate
CID 1267265

Frequently Asked Questions

What is the IUPAC name of (3R,9R)-3-(3,4-dimethoxyphenyl)-6,8-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one?
The IUPAC name of (3R,9R)-3-(3,4-dimethoxyphenyl)-6,8-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one (CID 27881288) is (3R,9R)-3-(3,4-dimethoxyphenyl)-6,8-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one.
What is the SMILES notation for (3R,9R)-3-(3,4-dimethoxyphenyl)-6,8-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one?
The canonical SMILES for (3R,9R)-3-(3,4-dimethoxyphenyl)-6,8-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one is COc1cc2c(c(OC)c1)[C@@H](c1cccnc1)C1=C(C[C@@H](c3ccc(OC)c(OC)c3)CC1=O)N2.
What is the InChIKey of (3R,9R)-3-(3,4-dimethoxyphenyl)-6,8-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one?
The InChIKey is NOQHFWPUGDTGQQ-DWXRJYCRSA-N. The full InChI is InChI=1S/C28H28N2O5/c1-32-19-13-21-28(25(14-19)35-4)26(17-6-5-9-29-15-17)27-20(30-21)10-18(11-22(27)31)16-7-8-23(33-2)24(12-16)34-3/h5-9,12-15,18,26,30H,10-11H2,1-4H3/t18-,26+/m1/s1.
What are the key properties of (3R,9R)-3-(3,4-dimethoxyphenyl)-6,8-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one?
(3R,9R)-3-(3,4-dimethoxyphenyl)-6,8-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one has a molecular weight of 472.54 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,9R)-3-(3,4-dimethoxyphenyl)-6,8-dimethoxy-9-pyridin-3-yl-3,4,9,10-tetrahydro-2H-acridin-1-one is sourced from PubChem (CID 27881288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).