(12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one

C25H23NO3 — CID 7419120

IUPAC(12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
SMILESCCOc1cc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)ccc1O
InChIInChI=1S/C25H23NO3/c1-2-29-22-14-16(11-13-20(22)27)23-24-17-7-4-3-6-15(17)10-12-19(24)26-18-8-5-9-21(28)25(18)23/h3-4,6-7,10-14,23,26-27H,2,5,8-9H2,1H3/t23-/m0/s1
InChIKeyUUTQZXJOZZWFEI-QHCPKHFHSA-N
MW385.46 g/mol
LogP5.51
Rot. Bonds3

About (12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one

(12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one (PubChem CID 7419120) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is (12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one.

Molecular Properties

Compound Name(12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
PubChem CID7419120
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Name(12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
SMILESCCOc1cc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)ccc1O
InChIInChI=1S/C25H23NO3/c1-2-29-22-14-16(11-13-20(22)27)23-24-17-7-4-3-6-15(17)10-12-19(24)26-18-8-5-9-21(28)25(18)23/h3-4,6-7,10-14,23,26-27H,2,5,8-9H2,1H3/t23-/m0/s1
InChIKeyUUTQZXJOZZWFEI-QHCPKHFHSA-N
XLogP5.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.46
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one with MolForge

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Related Compounds

(5R)-5-(3-ethoxy-4-hydroxyphenyl)-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
CID 1105732
(12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
CID 25362085
4-(3-ethoxy-4-hydroxyphenyl)-1,3,4,6,7,8-hexahydroquinazoline-2,5-dione
CID 23968011
benzyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2848200
propyl 4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 2848500
[2-ethoxy-4-[(9R,12R)-11-oxo-9-phenyl-8,9,10,12-tetrahydro-7H-benzo[a]acridin-12-yl]phenyl] propanoate
CID 26314725
5-(3-ethoxy-4-hydroxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]-3,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135535023
12-(2,5-dimethoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
CID 6488260
(8R)-8-(3-ethoxy-4-hydroxyphenyl)-8,10,11,12-tetrahydro-7H-benzo[a][4,7]phenanthrolin-9-one
CID 2052566
17-[4-(diethylamino)phenyl]-11-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12(16)-hexaen-15-one
CID 135393838
12-(3,4-dihydroxyphenyl)-3-methyl-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
CID 3500970
(4S)-4-(4-hydroxy-3-methoxyphenyl)-2-phenyl-1,4,6,7,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
CID 40642442

Frequently Asked Questions

What is the IUPAC name of (12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one?
The IUPAC name of (12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one (CID 7419120) is (12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one.
What is the SMILES notation for (12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one?
The canonical SMILES for (12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one is CCOc1cc([C@@H]2C3=C(CCCC3=O)Nc3ccc4ccccc4c32)ccc1O.
What is the InChIKey of (12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one?
The InChIKey is UUTQZXJOZZWFEI-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H23NO3/c1-2-29-22-14-16(11-13-20(22)27)23-24-17-7-4-3-6-15(17)10-12-19(24)26-18-8-5-9-21(28)25(18)23/h3-4,6-7,10-14,23,26-27H,2,5,8-9H2,1H3/t23-/m0/s1.
What are the key properties of (12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one?
(12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one has a molecular weight of 385.46 g/mol, XLogP of 5.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one is sourced from PubChem (CID 7419120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).