About 1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine
1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine (PubChem CID 118006263) has the molecular formula C32H28Cl2N6O
and a molecular weight of 583.52 g/mol. Its IUPAC name is 1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine.
Molecular Properties
| Compound Name | 1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine |
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| PubChem CID | 118006263 |
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| Molecular Formula | C32H28Cl2N6O |
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| Molecular Weight | 583.52 g/mol |
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| Exact Mass | 582.17 |
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| IUPAC Name | 1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine |
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| SMILES | CNC(c1ccc(Cl)cc1)(c1ccc2nc(OC)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1)c1cncn1C |
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| InChI | InChI=1S/C32H28Cl2N6O/c1-35-32(29-19-36-20-39(29)2,22-7-10-24(33)11-8-22)23-9-14-28-26(18-23)30(34)27(31(38-28)41-3)17-21-5-12-25(13-6-21)40-16-4-15-37-40/h4-16,18-20,35H,17H2,1-3H3 |
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| InChIKey | ORYZEGHIEGWWPP-UHFFFAOYSA-N |
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| XLogP | 6.57 |
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| TPSA | 69.79 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 583.52 |
| LogP ≤ 5 | 6.57 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Analyze 1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
The IUPAC name of 1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine (CID 118006263) is 1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for 1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for 1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine is CNC(c1ccc(Cl)cc1)(c1ccc2nc(OC)c(Cc3ccc(-n4cccn4)cc3)c(Cl)c2c1)c1cncn1C.
What is the InChIKey of 1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
The InChIKey is ORYZEGHIEGWWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28Cl2N6O/c1-35-32(29-19-36-20-39(29)2,22-7-10-24(33)11-8-22)23-9-14-28-26(18-23)30(34)27(31(38-28)41-3)17-21-5-12-25(13-6-21)40-16-4-15-37-40/h4-16,18-20,35H,17H2,1-3H3.
What are the key properties of 1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine?
1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine has a molecular weight of 583.52 g/mol, XLogP of 6.57, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-methoxy-3-[(4-pyrazol-1-ylphenyl)methyl]quinolin-6-yl]-1-(4-chlorophenyl)-N-methyl-1-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 118006263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).