3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one

C131H151Cl5F7N13O8 — CID 158137189

IUPAC3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one
SMILESCCN(CC)CCCc1ccc2c(=O)c3ccc(Cl)cc3n(CCN(CC)CC)c2c1.CCN(CC)CCCc1ccc2c(=O)c3ccc(Cl)cc3n(CCN3CCCCC3)c2c1.CCN(CC)CCn1c2ccccc2c(=O)c2ccc(Cl)cc21.CCN(CC)CCn1c2ccccc2c(=O)c2ccccc21.O=c1c2ccc(Cl)cc2[nH]c2cc(OCCCCC(F)(C(F)(F)F)C(F)(F)F)ccc12.O=c1c2ccc(Cl)cc2[nH]c2cc(OCCN3CCCCC3)ccc12
InChIInChI=1S/C27H36ClN3O.C26H36ClN3O.C20H15ClF7NO2.C20H21ClN2O2.C19H21ClN2O.C19H22N2O/c1-3-29(4-2)16-8-9-21-10-12-23-25(19-21)31(18-17-30-14-6-5-7-15-30)26-20-22(28)11-13-24(26)27(23)32;1-5-28(6-2)15-9-10-20-11-13-22-24(18-20)30(17-16-29(7-3)8-4)25-19-21(27)12-14-23(25)26(22)31;21-11-3-5-13-15(9-11)29-16-10-12(4-6-14(16)17(13)30)31-8-2-1-7-18(22,19(23,24)25)20(26,27)28;21-14-4-6-16-18(12-14)22-19-13-15(5-7-17(19)20(16)24)25-11-10-23-8-2-1-3-9-23;1-3-21(4-2)11-12-22-17-8-6-5-7-15(17)19(23)16-10-9-14(20)13-18(16)22;1-3-20(4-2)13-14-21-17-11-7-5-9-15(17)19(22)16-10-6-8-12-18(16)21/h10-13,19-20H,3-9,14-18H2,1-2H3;11-14,18-19H,5-10,15-17H2,1-4H3;3-6,9-10H,1-2,7-8H2,(H,29,30);4-7,12-13H,1-3,8-11H2,(H,22,24);5-10,13H,3-4,11-12H2,1-2H3;5-12H,3-4,13-14H2,1-2H3
InChIKeyFTMFJQYEWJPLKU-UHFFFAOYSA-N
MW2345.98 g/mol
LogP29.56
Rot. Bonds40

About 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one

3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one (PubChem CID 158137189) has the molecular formula C131H151Cl5F7N13O8 and a molecular weight of 2345.98 g/mol. Its IUPAC name is 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one.

Molecular Properties

Compound Name3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one
PubChem CID158137189
Molecular FormulaC131H151Cl5F7N13O8
Molecular Weight2345.98 g/mol
Exact Mass2342.01
IUPAC Name3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one
SMILESCCN(CC)CCCc1ccc2c(=O)c3ccc(Cl)cc3n(CCN(CC)CC)c2c1.CCN(CC)CCCc1ccc2c(=O)c3ccc(Cl)cc3n(CCN3CCCCC3)c2c1.CCN(CC)CCn1c2ccccc2c(=O)c2ccc(Cl)cc21.CCN(CC)CCn1c2ccccc2c(=O)c2ccccc21.O=c1c2ccc(Cl)cc2[nH]c2cc(OCCCCC(F)(C(F)(F)F)C(F)(F)F)ccc12.O=c1c2ccc(Cl)cc2[nH]c2cc(OCCN3CCCCC3)ccc12
InChIInChI=1S/C27H36ClN3O.C26H36ClN3O.C20H15ClF7NO2.C20H21ClN2O2.C19H21ClN2O.C19H22N2O/c1-3-29(4-2)16-8-9-21-10-12-23-25(19-21)31(18-17-30-14-6-5-7-15-30)26-20-22(28)11-13-24(26)27(23)32;1-5-28(6-2)15-9-10-20-11-13-22-24(18-20)30(17-16-29(7-3)8-4)25-19-21(27)12-14-23(25)26(22)31;21-11-3-5-13-15(9-11)29-16-10-12(4-6-14(16)17(13)30)31-8-2-1-7-18(22,19(23,24)25)20(26,27)28;21-14-4-6-16-18(12-14)22-19-13-15(5-7-17(19)20(16)24)25-11-10-23-8-2-1-3-9-23;1-3-21(4-2)11-12-22-17-8-6-5-7-15(17)19(23)16-10-9-14(20)13-18(16)22;1-3-20(4-2)13-14-21-17-11-7-5-9-15(17)19(22)16-10-6-8-12-18(16)21/h10-13,19-20H,3-9,14-18H2,1-2H3;11-14,18-19H,5-10,15-17H2,1-4H3;3-6,9-10H,1-2,7-8H2,(H,29,30);4-7,12-13H,1-3,8-11H2,(H,22,24);5-10,13H,3-4,11-12H2,1-2H3;5-12H,3-4,13-14H2,1-2H3
InChIKeyFTMFJQYEWJPLKU-UHFFFAOYSA-N
XLogP29.56
TPSA194.86 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds40
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002345.98
LogP ≤ 529.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one?
The IUPAC name of 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one (CID 158137189) is 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one.
What is the SMILES notation for 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one?
The canonical SMILES for 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one is CCN(CC)CCCc1ccc2c(=O)c3ccc(Cl)cc3n(CCN(CC)CC)c2c1.CCN(CC)CCCc1ccc2c(=O)c3ccc(Cl)cc3n(CCN3CCCCC3)c2c1.CCN(CC)CCn1c2ccccc2c(=O)c2ccc(Cl)cc21.CCN(CC)CCn1c2ccccc2c(=O)c2ccccc21.O=c1c2ccc(Cl)cc2[nH]c2cc(OCCCCC(F)(C(F)(F)F)C(F)(F)F)ccc12.O=c1c2ccc(Cl)cc2[nH]c2cc(OCCN3CCCCC3)ccc12.
What is the InChIKey of 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one?
The InChIKey is FTMFJQYEWJPLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36ClN3O.C26H36ClN3O.C20H15ClF7NO2.C20H21ClN2O2.C19H21ClN2O.C19H22N2O/c1-3-29(4-2)16-8-9-21-10-12-23-25(19-21)31(18-17-30-14-6-5-7-15-30)26-20-22(28)11-13-24(26)27(23)32;1-5-28(6-2)15-9-10-20-11-13-22-24(18-20)30(17-16-29(7-3)8-4)25-19-21(27)12-14-23(25)26(22)31;21-11-3-5-13-15(9-11)29-16-10-12(4-6-14(16)17(13)30)31-8-2-1-7-18(22,19(23,24)25)20(26,27)28;21-14-4-6-16-18(12-14)22-19-13-15(5-7-17(19)20(16)24)25-11-10-23-8-2-1-3-9-23;1-3-21(4-2)11-12-22-17-8-6-5-7-15(17)19(23)16-10-9-14(20)13-18(16)22;1-3-20(4-2)13-14-21-17-11-7-5-9-15(17)19(22)16-10-6-8-12-18(16)21/h10-13,19-20H,3-9,14-18H2,1-2H3;11-14,18-19H,5-10,15-17H2,1-4H3;3-6,9-10H,1-2,7-8H2,(H,29,30);4-7,12-13H,1-3,8-11H2,(H,22,24);5-10,13H,3-4,11-12H2,1-2H3;5-12H,3-4,13-14H2,1-2H3.
What are the key properties of 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one?
3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one has a molecular weight of 2345.98 g/mol, XLogP of 29.56, 40 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-10-[2-(diethylamino)ethyl]acridin-9-one;3-chloro-10-[2-(diethylamino)ethyl]-6-[3-(diethylamino)propyl]acridin-9-one;3-chloro-6-[3-(diethylamino)propyl]-10-(2-piperidin-1-ylethyl)acridin-9-one;3-chloro-6-(2-piperidin-1-ylethoxy)-10H-acridin-9-one;3-chloro-6-[5,6,6,6-tetrafluoro-5-(trifluoromethyl)hexoxy]-10H-acridin-9-one;10-[2-(diethylamino)ethyl]acridin-9-one is sourced from PubChem (CID 158137189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).