(12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one

C31H26FNO3 — CID 25362085

IUPAC(12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
SMILESCOc1cc([C@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C31H26FNO3/c1-35-28-17-21(12-16-27(28)36-18-19-9-13-22(32)14-10-19)29-30-23-6-3-2-5-20(23)11-15-25(30)33-24-7-4-8-26(34)31(24)29/h2-3,5-6,9-17,29,33H,4,7-8,18H2,1H3/t29-/m1/s1
InChIKeySDKYPDKUFNEPFI-GDLZYMKVSA-N
MW479.55 g/mol
LogP7.13
Rot. Bonds5

About (12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one

(12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one (PubChem CID 25362085) has the molecular formula C31H26FNO3 and a molecular weight of 479.55 g/mol. Its IUPAC name is (12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one.

Molecular Properties

Compound Name(12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
PubChem CID25362085
Molecular FormulaC31H26FNO3
Molecular Weight479.55 g/mol
Exact Mass479.19
IUPAC Name(12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
SMILESCOc1cc([C@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C31H26FNO3/c1-35-28-17-21(12-16-27(28)36-18-19-9-13-22(32)14-10-19)29-30-23-6-3-2-5-20(23)11-15-25(30)33-24-7-4-8-26(34)31(24)29/h2-3,5-6,9-17,29,33H,4,7-8,18H2,1H3/t29-/m1/s1
InChIKeySDKYPDKUFNEPFI-GDLZYMKVSA-N
XLogP7.13
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.55
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one with MolForge

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Related Compounds

(12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
CID 7419120
12-(2,5-dimethoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
CID 6488260
benzyl (4S)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1049311
9-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-phenyl-5,6,7,9-tetrahydro-4H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 4830677
ethyl (4R)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1101390
2-methoxyethyl 4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 3122674
cyclopentyl (4S)-4-(3-methoxy-4-phenylmethoxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 981283
ethyl (4R)-4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 1043055
12-[3-methoxy-4-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methoxy]phenyl]-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 137346460
9-(3-methoxy-4-prop-2-enoxyphenyl)-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 2921589
9-[4-[(4-fluorophenyl)methoxy]phenyl]-2,3,4,5,6,7,9,10-octahydroacridine-1,8-dione
CID 5104099
2-[4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-2-methoxyphenoxy]acetamide
CID 1089237

Frequently Asked Questions

What is the IUPAC name of (12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one?
The IUPAC name of (12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one (CID 25362085) is (12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one.
What is the SMILES notation for (12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one?
The canonical SMILES for (12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one is COc1cc([C@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)ccc1OCc1ccc(F)cc1.
What is the InChIKey of (12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one?
The InChIKey is SDKYPDKUFNEPFI-GDLZYMKVSA-N. The full InChI is InChI=1S/C31H26FNO3/c1-35-28-17-21(12-16-27(28)36-18-19-9-13-22(32)14-10-19)29-30-23-6-3-2-5-20(23)11-15-25(30)33-24-7-4-8-26(34)31(24)29/h2-3,5-6,9-17,29,33H,4,7-8,18H2,1H3/t29-/m1/s1.
What are the key properties of (12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one?
(12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one has a molecular weight of 479.55 g/mol, XLogP of 7.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one is sourced from PubChem (CID 25362085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).