7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine

C61H48Cl2F6N10O2 — CID 158225923

IUPAC7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine
SMILESCN(C)c1ccnc2cc(C(F)(F)F)ccc12.COc1ccc2c(ccc[n+]2[O-])c1.Clc1ccc2c(NCc3ccccn3)ncnc2c1.Clc1ccc2cc(-c3ccccc3)cnc2c1.Nc1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C15H10ClN.C14H11ClN4.C12H11F3N2.C10H7F3N2.C10H9NO2/c16-14-7-6-12-8-13(10-17-15(12)9-14)11-4-2-1-3-5-11;15-10-4-5-12-13(7-10)18-9-19-14(12)17-8-11-3-1-2-6-16-11;1-17(2)11-5-6-16-10-7-8(12(13,14)15)3-4-9(10)11;11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7;1-13-9-4-5-10-8(7-9)3-2-6-11(10)12/h1-10H;1-7,9H,8H2,(H,17,18,19);3-7H,1-2H3;1-5H,(H2,14,15);2-7H,1H3
InChIKeyGDUKGFKMODZYKQ-UHFFFAOYSA-N
MW1138.02 g/mol
LogP15.48
Rot. Bonds6

About 7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine

7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine (PubChem CID 158225923) has the molecular formula C61H48Cl2F6N10O2 and a molecular weight of 1138.02 g/mol. Its IUPAC name is 7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine
PubChem CID158225923
Molecular FormulaC61H48Cl2F6N10O2
Molecular Weight1138.02 g/mol
Exact Mass1136.32
IUPAC Name7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine
SMILESCN(C)c1ccnc2cc(C(F)(F)F)ccc12.COc1ccc2c(ccc[n+]2[O-])c1.Clc1ccc2c(NCc3ccccn3)ncnc2c1.Clc1ccc2cc(-c3ccccc3)cnc2c1.Nc1ccnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C15H10ClN.C14H11ClN4.C12H11F3N2.C10H7F3N2.C10H9NO2/c16-14-7-6-12-8-13(10-17-15(12)9-14)11-4-2-1-3-5-11;15-10-4-5-12-13(7-10)18-9-19-14(12)17-8-11-3-1-2-6-16-11;1-17(2)11-5-6-16-10-7-8(12(13,14)15)3-4-9(10)11;11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7;1-13-9-4-5-10-8(7-9)3-2-6-11(10)12/h1-10H;1-7,9H,8H2,(H,17,18,19);3-7H,1-2H3;1-5H,(H2,14,15);2-7H,1H3
InChIKeyGDUKGFKMODZYKQ-UHFFFAOYSA-N
XLogP15.48
TPSA154.80 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms81
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001138.02
LogP ≤ 515.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-N-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-6-(4-methylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 46879140
2-N-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-6-(4-ethylpiperazin-1-yl)-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 46879141
2-N-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-6-N-[2-(dimethylamino)ethyl]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 46879144
2-N-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-6-N-[2-(diethylamino)ethyl]-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 46879145
4-N-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-2-N-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine
CID 46879151
4-N-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-6-(4-ethylpiperazin-1-yl)-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 46879193
4-N-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-6-N-[2-(dimethylamino)ethyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4,6-triamine
CID 46879194
4-N-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-6-N-[2-(diethylamino)ethyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4,6-triamine
CID 46879195
4-N-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]-2-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 46879196
4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 127049419
4-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 127052760
2-N-[[4-[4-[[4-amino-6-[4-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethylideneamino]butylamino]-1,3,5-triazin-2-yl]amino]butyliminomethyl]phenyl]methyl]-1,3,5-triazine-2,4,6-triamine
CID 171348874

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine?
The IUPAC name of 7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine (CID 158225923) is 7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine?
The canonical SMILES for 7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine is CN(C)c1ccnc2cc(C(F)(F)F)ccc12.COc1ccc2c(ccc[n+]2[O-])c1.Clc1ccc2c(NCc3ccccn3)ncnc2c1.Clc1ccc2cc(-c3ccccc3)cnc2c1.Nc1ccnc2c(C(F)(F)F)cccc12.
What is the InChIKey of 7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine?
The InChIKey is GDUKGFKMODZYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN.C14H11ClN4.C12H11F3N2.C10H7F3N2.C10H9NO2/c16-14-7-6-12-8-13(10-17-15(12)9-14)11-4-2-1-3-5-11;15-10-4-5-12-13(7-10)18-9-19-14(12)17-8-11-3-1-2-6-16-11;1-17(2)11-5-6-16-10-7-8(12(13,14)15)3-4-9(10)11;11-10(12,13)7-3-1-2-6-8(14)4-5-15-9(6)7;1-13-9-4-5-10-8(7-9)3-2-6-11(10)12/h1-10H;1-7,9H,8H2,(H,17,18,19);3-7H,1-2H3;1-5H,(H2,14,15);2-7H,1H3.
What are the key properties of 7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine?
7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine has a molecular weight of 1138.02 g/mol, XLogP of 15.48, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-phenylquinoline;7-chloro-N-(pyridin-2-ylmethyl)quinazolin-4-amine;N,N-dimethyl-7-(trifluoromethyl)quinolin-4-amine;6-methoxy-1-oxidoquinolin-1-ium;8-(trifluoromethyl)quinolin-4-amine is sourced from PubChem (CID 158225923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).