5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine

C119H86Cl6F6N18O4 — CID 159204254

IUPAC5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine
SMILESCC(N)c1nc2cccc(Cl)c2cc1-c1cccc(F)c1.CC(O)c1nc2cccc(Cl)c2cc1-c1cccc(F)c1.CC(c1nc2cccc(Cl)c2cc1-c1cccc(F)c1)N1C(=O)c2ccccc2C1=O.COc1nc2cccc(Cl)c2cc1-c1cccc(F)c1.C[C@@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2cc1-c1cccc(F)c1.C[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2cc1-c1cccc(F)c1
InChIInChI=1S/C25H16ClFN2O2.2C22H16ClFN6.C17H14ClFN2.C17H13ClFNO.C16H11ClFNO/c1-14(29-24(30)17-8-2-3-9-18(17)25(29)31)23-19(15-6-4-7-16(27)12-15)13-20-21(26)10-5-11-22(20)28-23;2*1-12(29-22-20-21(26-10-25-20)27-11-28-22)19-15(13-4-2-5-14(24)8-13)9-16-17(23)6-3-7-18(16)30-19;1-10(20)17-13(11-4-2-5-12(19)8-11)9-14-15(18)6-3-7-16(14)21-17;1-10(21)17-13(11-4-2-5-12(19)8-11)9-14-15(18)6-3-7-16(14)20-17;1-20-16-12(10-4-2-5-11(18)8-10)9-13-14(17)6-3-7-15(13)19-16/h2-14H,1H3;2*2-12H,1H3,(H2,25,26,27,28,29);2-10H,20H2,1H3;2-10,21H,1H3;2-9H,1H3/t;2*12-;;;/m.10.../s1
InChIKeyKPRCQDGEPRAOMR-JWJBPRKDSA-N
MW2158.82 g/mol
LogP31.28
Rot. Bonds17

About 5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine

5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine (PubChem CID 159204254) has the molecular formula C119H86Cl6F6N18O4 and a molecular weight of 2158.82 g/mol. Its IUPAC name is 5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine.

Molecular Properties

Compound Name5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine
PubChem CID159204254
Molecular FormulaC119H86Cl6F6N18O4
Molecular Weight2158.82 g/mol
Exact Mass2154.51
IUPAC Name5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine
SMILESCC(N)c1nc2cccc(Cl)c2cc1-c1cccc(F)c1.CC(O)c1nc2cccc(Cl)c2cc1-c1cccc(F)c1.CC(c1nc2cccc(Cl)c2cc1-c1cccc(F)c1)N1C(=O)c2ccccc2C1=O.COc1nc2cccc(Cl)c2cc1-c1cccc(F)c1.C[C@@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2cc1-c1cccc(F)c1.C[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2cc1-c1cccc(F)c1
InChIInChI=1S/C25H16ClFN2O2.2C22H16ClFN6.C17H14ClFN2.C17H13ClFNO.C16H11ClFNO/c1-14(29-24(30)17-8-2-3-9-18(17)25(29)31)23-19(15-6-4-7-16(27)12-15)13-20-21(26)10-5-11-22(20)28-23;2*1-12(29-22-20-21(26-10-25-20)27-11-28-22)19-15(13-4-2-5-14(24)8-13)9-16-17(23)6-3-7-18(16)30-19;1-10(20)17-13(11-4-2-5-12(19)8-11)9-14-15(18)6-3-7-16(14)21-17;1-10(21)17-13(11-4-2-5-12(19)8-11)9-14-15(18)6-3-7-16(14)20-17;1-20-16-12(10-4-2-5-11(18)8-10)9-13-14(17)6-3-7-15(13)19-16/h2-14H,1H3;2*2-12H,1H3,(H2,25,26,27,28,29);2-10H,20H2,1H3;2-10,21H,1H3;2-9H,1H3/t;2*12-;;;/m.10.../s1
InChIKeyKPRCQDGEPRAOMR-JWJBPRKDSA-N
XLogP31.28
TPSA303.18 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002158.82
LogP ≤ 531.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine?
The IUPAC name of 5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine (CID 159204254) is 5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine.
What is the SMILES notation for 5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine?
The canonical SMILES for 5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine is CC(N)c1nc2cccc(Cl)c2cc1-c1cccc(F)c1.CC(O)c1nc2cccc(Cl)c2cc1-c1cccc(F)c1.CC(c1nc2cccc(Cl)c2cc1-c1cccc(F)c1)N1C(=O)c2ccccc2C1=O.COc1nc2cccc(Cl)c2cc1-c1cccc(F)c1.C[C@@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2cc1-c1cccc(F)c1.C[C@H](Nc1ncnc2nc[nH]c12)c1nc2cccc(Cl)c2cc1-c1cccc(F)c1.
What is the InChIKey of 5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine?
The InChIKey is KPRCQDGEPRAOMR-JWJBPRKDSA-N. The full InChI is InChI=1S/C25H16ClFN2O2.2C22H16ClFN6.C17H14ClFN2.C17H13ClFNO.C16H11ClFNO/c1-14(29-24(30)17-8-2-3-9-18(17)25(29)31)23-19(15-6-4-7-16(27)12-15)13-20-21(26)10-5-11-22(20)28-23;2*1-12(29-22-20-21(26-10-25-20)27-11-28-22)19-15(13-4-2-5-14(24)8-13)9-16-17(23)6-3-7-18(16)30-19;1-10(20)17-13(11-4-2-5-12(19)8-11)9-14-15(18)6-3-7-16(14)21-17;1-10(21)17-13(11-4-2-5-12(19)8-11)9-14-15(18)6-3-7-16(14)20-17;1-20-16-12(10-4-2-5-11(18)8-10)9-13-14(17)6-3-7-15(13)19-16/h2-14H,1H3;2*2-12H,1H3,(H2,25,26,27,28,29);2-10H,20H2,1H3;2-10,21H,1H3;2-9H,1H3/t;2*12-;;;/m.10.../s1.
What are the key properties of 5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine?
5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine has a molecular weight of 2158.82 g/mol, XLogP of 31.28, 17 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3-fluorophenyl)-2-methoxyquinoline;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanamine;1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethanol;2-[1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]isoindole-1,3-dione;N-[(1R)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine;N-[(1S)-1-[5-chloro-3-(3-fluorophenyl)quinolin-2-yl]ethyl]-7H-purin-6-amine is sourced from PubChem (CID 159204254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).