acridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride

C93H70Cl3F2N15O5 — CID 158114639

IUPACacridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride
SMILESCl.Fc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1.Fc1ccc(Nc2ccnc3ccccc23)cc1.Nc1ccc2c(N)c3ccccc3nc2c1.Nc1ccnc2ccccc12.O=C=O.O=Nc1ccc2c(Cl)c3ccccc3nc2c1.O=[N+]([O-])c1cccc(Nc2ccccc2)c1.c1ccc(Nc2ccnc3ccccc23)cc1
InChIInChI=1S/C15H10ClFN2.C15H11FN2.C15H12N2.C13H7ClN2O.C13H11N3.C12H10N2O2.C9H8N2.CO2.ClH/c16-10-1-6-13-14(7-8-18-15(13)9-10)19-12-4-2-11(17)3-5-12;16-11-5-7-12(8-6-11)18-15-9-10-17-14-4-2-1-3-13(14)15;1-2-6-12(7-3-1)17-15-10-11-16-14-9-5-4-8-13(14)15;14-13-9-3-1-2-4-11(9)15-12-7-8(16-17)5-6-10(12)13;14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15;15-14(16)12-8-4-7-11(9-12)13-10-5-2-1-3-6-10;10-8-5-6-11-9-4-2-1-3-7(8)9;2-1-3;/h1-9H,(H,18,19);1-10H,(H,17,18);1-11H,(H,16,17);1-7H;1-7H,14H2,(H2,15,16);1-9,13H;1-6H,(H2,10,11);;1H
InChIKeyTXLFSCZYZQVJPZ-UHFFFAOYSA-N
MW1622.04 g/mol
LogP24.85
Rot. Bonds10

About acridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride

acridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride (PubChem CID 158114639) has the molecular formula C93H70Cl3F2N15O5 and a molecular weight of 1622.04 g/mol. Its IUPAC name is acridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride.

Molecular Properties

Compound Nameacridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride
PubChem CID158114639
Molecular FormulaC93H70Cl3F2N15O5
Molecular Weight1622.04 g/mol
Exact Mass1619.47
IUPAC Nameacridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride
SMILESCl.Fc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1.Fc1ccc(Nc2ccnc3ccccc23)cc1.Nc1ccc2c(N)c3ccccc3nc2c1.Nc1ccnc2ccccc12.O=C=O.O=Nc1ccc2c(Cl)c3ccccc3nc2c1.O=[N+]([O-])c1cccc(Nc2ccccc2)c1.c1ccc(Nc2ccnc3ccccc23)cc1
InChIInChI=1S/C15H10ClFN2.C15H11FN2.C15H12N2.C13H7ClN2O.C13H11N3.C12H10N2O2.C9H8N2.CO2.ClH/c16-10-1-6-13-14(7-8-18-15(13)9-10)19-12-4-2-11(17)3-5-12;16-11-5-7-12(8-6-11)18-15-9-10-17-14-4-2-1-3-13(14)15;1-2-6-12(7-3-1)17-15-10-11-16-14-9-5-4-8-13(14)15;14-13-9-3-1-2-4-11(9)15-12-7-8(16-17)5-6-10(12)13;14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15;15-14(16)12-8-4-7-11(9-12)13-10-5-2-1-3-6-10;10-8-5-6-11-9-4-2-1-3-7(8)9;2-1-3;/h1-9H,(H,18,19);1-10H,(H,17,18);1-11H,(H,16,17);1-7H;1-7H,14H2,(H2,15,16);1-9,13H;1-6H,(H2,10,11);;1H
InChIKeyTXLFSCZYZQVJPZ-UHFFFAOYSA-N
XLogP24.85
TPSA310.23 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds10
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001622.04
LogP ≤ 524.85
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze acridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride with MolForge

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Related Compounds

[3-(4-{3-[Bis-(4-nitro-benzyl)-amino]-propyl}-piperazin-1-yl)-propyl]-(7-chloro-quinolin-4-yl)-amine
CID 10875927
N-[3-[(7-chloroquinolin-4-yl)amino]-5-[[4-[(4-nitrophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-piperidin-1-ylacetamide
CID 10886699
N-[3-[4-[bis[(4-nitrophenyl)methyl]amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 58476730
5-Chloro-7-nitroquinoline;5-chloroquinolin-7-amine
CID 69921292
N-[1-[(2-aminophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-chloro-2-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(3-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]isoquinolin-5-amine;N-[1-(pyridin-4-ylmethyl)piperidin-3-yl]isoquinolin-5-amine
CID 157061064
N'-tert-butyl-N-[7-chloro-3-[4-(dimethylamino)phenyl]quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine
CID 157130249
7-chloro-N-(4-piperidin-1-ylbutyl)quinolin-4-amine;7-chloro-N-(10-piperidin-1-yldecyl)quinolin-4-amine;7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 157333995
N'-tert-butyl-N-[7-chloro-3-[4-(dimethylamino)phenyl]quinolin-4-yl]propane-1,3-diamine;tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine
CID 157355653
N-[3-[4-[benzyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine;N-[3-[4-[bis(pyridin-4-ylmethyl)amino]piperidin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 157485469
N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]pentane-1,5-diamine;N'-(7-chloroquinolin-4-yl)-N-[3-(diethylamino)propyl]propane-1,3-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyldecane-1,10-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethylhexane-1,6-diamine;N-(7-chloroquinolin-4-yl)-N',N'-diethyloctane-1,8-diamine
CID 158340538
tris(N'-tert-butyl-N-[7-chloro-3-(4-methylphenyl)quinolin-4-yl]propane-1,3-diamine);N'-tert-butyl-N-[7-chloro-3-[4-(piperidin-1-ylmethyl)phenyl]quinolin-4-yl]propane-1,3-diamine;N'-tert-butyl-N-[7-chloro-3-(4-piperidin-1-ylphenyl)quinolin-4-yl]propane-1,3-diamine
CID 158591316
N-benzyl-7-chloroquinolin-4-amine;N-benzylquinolin-4-amine;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;7-chloro-N-phenylquinolin-4-amine;N-(4-fluorophenyl)quinolin-4-amine;N-phenylquinolin-4-amine
CID 158603972

Frequently Asked Questions

What is the IUPAC name of acridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride?
The IUPAC name of acridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride (CID 158114639) is acridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride.
What is the SMILES notation for acridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride?
The canonical SMILES for acridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride is Cl.Fc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1.Fc1ccc(Nc2ccnc3ccccc23)cc1.Nc1ccc2c(N)c3ccccc3nc2c1.Nc1ccnc2ccccc12.O=C=O.O=Nc1ccc2c(Cl)c3ccccc3nc2c1.O=[N+]([O-])c1cccc(Nc2ccccc2)c1.c1ccc(Nc2ccnc3ccccc23)cc1.
What is the InChIKey of acridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride?
The InChIKey is TXLFSCZYZQVJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2.C15H11FN2.C15H12N2.C13H7ClN2O.C13H11N3.C12H10N2O2.C9H8N2.CO2.ClH/c16-10-1-6-13-14(7-8-18-15(13)9-10)19-12-4-2-11(17)3-5-12;16-11-5-7-12(8-6-11)18-15-9-10-17-14-4-2-1-3-13(14)15;1-2-6-12(7-3-1)17-15-10-11-16-14-9-5-4-8-13(14)15;14-13-9-3-1-2-4-11(9)15-12-7-8(16-17)5-6-10(12)13;14-8-5-6-10-12(7-8)16-11-4-2-1-3-9(11)13(10)15;15-14(16)12-8-4-7-11(9-12)13-10-5-2-1-3-6-10;10-8-5-6-11-9-4-2-1-3-7(8)9;2-1-3;/h1-9H,(H,18,19);1-10H,(H,17,18);1-11H,(H,16,17);1-7H;1-7H,14H2,(H2,15,16);1-9,13H;1-6H,(H2,10,11);;1H.
What are the key properties of acridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride?
acridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride has a molecular weight of 1622.04 g/mol, XLogP of 24.85, 10 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for acridine-3,9-diamine;carbon dioxide;7-chloro-N-(4-fluorophenyl)quinolin-4-amine;9-chloro-3-nitrosoacridine;N-(4-fluorophenyl)quinolin-4-amine;3-nitro-N-phenylaniline;N-phenylquinolin-4-amine;quinolin-4-amine;hydrochloride is sourced from PubChem (CID 158114639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).