acridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine

C67H65ClN10O4S — CID 159311935

IUPACacridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine
SMILESCCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12.Nc1c2c(nc3ccccc13)CCCC2.Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C21H19N3O3S.C20H22ClN3O.C13H14N2.C13H10N2/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;2*14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h3-13,24H,1-2H3,(H,22,23);5-12,25H,3-4,13H2,1-2H3,(H,22,23);1,3,5,7H,2,4,6,8H2,(H2,14,15);1-8H,(H2,14,15)
InChIKeyLCQUISSOFWGXDA-UHFFFAOYSA-N
MW1141.84 g/mol
LogP15.36
Rot. Bonds11

About acridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine

acridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine (PubChem CID 159311935) has the molecular formula C67H65ClN10O4S and a molecular weight of 1141.84 g/mol. Its IUPAC name is acridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine.

Molecular Properties

Compound Nameacridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine
PubChem CID159311935
Molecular FormulaC67H65ClN10O4S
Molecular Weight1141.84 g/mol
Exact Mass1140.46
IUPAC Nameacridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine
SMILESCCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12.Nc1c2c(nc3ccccc13)CCCC2.Nc1c2ccccc2nc2ccccc12
InChIInChI=1S/C21H19N3O3S.C20H22ClN3O.C13H14N2.C13H10N2/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;2*14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h3-13,24H,1-2H3,(H,22,23);5-12,25H,3-4,13H2,1-2H3,(H,22,23);1,3,5,7H,2,4,6,8H2,(H2,14,15);1-8H,(H2,14,15)
InChIKeyLCQUISSOFWGXDA-UHFFFAOYSA-N
XLogP15.36
TPSA206.53 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001141.84
LogP ≤ 515.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine?
The IUPAC name of acridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine (CID 159311935) is acridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine.
What is the SMILES notation for acridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine?
The canonical SMILES for acridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine is CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O.COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12.Nc1c2c(nc3ccccc13)CCCC2.Nc1c2ccccc2nc2ccccc12.
What is the InChIKey of acridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine?
The InChIKey is LCQUISSOFWGXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S.C20H22ClN3O.C13H14N2.C13H10N2/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21;1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;2*14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h3-13,24H,1-2H3,(H,22,23);5-12,25H,3-4,13H2,1-2H3,(H,22,23);1,3,5,7H,2,4,6,8H2,(H2,14,15);1-8H,(H2,14,15).
What are the key properties of acridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine?
acridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine has a molecular weight of 1141.84 g/mol, XLogP of 15.36, 11 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for acridin-9-amine;N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide;4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;1,2,3,4-tetrahydroacridin-9-amine is sourced from PubChem (CID 159311935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).