12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one

C27H19Cl2NO2 — CID 5001411

IUPAC12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
SMILESO=C1CCCC2=C1C(c1ccc(-c3ccc(Cl)c(Cl)c3)o1)c1c(ccc3ccccc13)N2
InChIInChI=1S/C27H19Cl2NO2/c28-18-10-8-16(14-19(18)29)23-12-13-24(32-23)27-25-17-5-2-1-4-15(17)9-11-21(25)30-20-6-3-7-22(31)26(20)27/h1-2,4-5,8-14,27,30H,3,6-7H2
InChIKeyXFVXIVHANDOXEH-UHFFFAOYSA-N
MW460.36 g/mol
LogP7.97
Rot. Bonds2

About 12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one

12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one (PubChem CID 5001411) has the molecular formula C27H19Cl2NO2 and a molecular weight of 460.36 g/mol. Its IUPAC name is 12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one.

Molecular Properties

Compound Name12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
PubChem CID5001411
Molecular FormulaC27H19Cl2NO2
Molecular Weight460.36 g/mol
Exact Mass459.08
IUPAC Name12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
SMILESO=C1CCCC2=C1C(c1ccc(-c3ccc(Cl)c(Cl)c3)o1)c1c(ccc3ccccc13)N2
InChIInChI=1S/C27H19Cl2NO2/c28-18-10-8-16(14-19(18)29)23-12-13-24(32-23)27-25-17-5-2-1-4-15(17)9-11-21(25)30-20-6-3-7-22(31)26(20)27/h1-2,4-5,8-14,27,30H,3,6-7H2
InChIKeyXFVXIVHANDOXEH-UHFFFAOYSA-N
XLogP7.97
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.36
LogP ≤ 57.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one with MolForge

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Related Compounds

5-[5-(4-chlorophenyl)furan-2-yl]-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 18809350
(5R)-5-(5-phenylfuran-2-yl)-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 7273119
(5R)-5-[5-(3,4-dichlorophenyl)furan-2-yl]-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
CID 41092931
5-[5-(3,4-dichlorophenyl)furan-2-yl]-8,8-dimethyl-2-sulfanylidene-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione
CID 3672288
12-(2,5-dimethoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
CID 6488260
5-[5-(4-methylphenyl)furan-2-yl]-1,5,7,8,9,10-hexahydropyrimido[4,5-b]quinoline-2,4,6-trione
CID 18809338
(12S)-12-(3-ethoxy-4-hydroxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
CID 7419120
(12R)-9,9-dimethyl-12-naphthalen-1-yl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 7231056
(9R,12R)-12-(3,4-dichlorophenyl)-9-(4-methoxyphenyl)-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
CID 7084292
9,9-dimethyl-12-(4-methylphenyl)-7,8,10,12-tetrahydrobenzo[a]acridin-11-one;ethane
CID 169270874
(12R)-12-(2-iodophenyl)-8,9,10,12-tetrahydro-7H-benzo[b][4,7]phenanthrolin-11-one
CID 1265552
(12R)-12-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one
CID 25362085

Frequently Asked Questions

What is the IUPAC name of 12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one?
The IUPAC name of 12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one (CID 5001411) is 12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one.
What is the SMILES notation for 12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one?
The canonical SMILES for 12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one is O=C1CCCC2=C1C(c1ccc(-c3ccc(Cl)c(Cl)c3)o1)c1c(ccc3ccccc13)N2.
What is the InChIKey of 12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one?
The InChIKey is XFVXIVHANDOXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19Cl2NO2/c28-18-10-8-16(14-19(18)29)23-12-13-24(32-23)27-25-17-5-2-1-4-15(17)9-11-21(25)30-20-6-3-7-22(31)26(20)27/h1-2,4-5,8-14,27,30H,3,6-7H2.
What are the key properties of 12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one?
12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one has a molecular weight of 460.36 g/mol, XLogP of 7.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[5-(3,4-dichlorophenyl)furan-2-yl]-8,9,10,12-tetrahydro-7H-benzo[a]acridin-11-one is sourced from PubChem (CID 5001411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).