5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-methoxy-4-methylphenyl)methyl]quinolin-8-ol;4-methoxy-3-methylbenzaldehyde;quinolin-8-ol

C48H46Cl2N6O5 — CID 157485107

About 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-methoxy-4-methylphenyl)methyl]quinolin-8-ol;4-methoxy-3-methylbenzaldehyde;quinolin-8-ol

5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-methoxy-4-methylphenyl)methyl]quinolin-8-ol;4-methoxy-3-methylbenzaldehyde;quinolin-8-ol (PubChem CID 157485107) has the molecular formula C48H46Cl2N6O5 and a molecular weight of 857.84 g/mol. Its IUPAC name is 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-methoxy-4-methylphenyl)methyl]quinolin-8-ol;4-methoxy-3-methylbenzaldehyde;quinolin-8-ol.

Molecular Properties

• Compound Name: 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-methoxy-4-methylphenyl)methyl]quinolin-8-ol;4-methoxy-3-methylbenzaldehyde;quinolin-8-ol
• PubChem CID: 157485107
• Molecular Formula: C48H46Cl2N6O5
• Molecular Weight: 857.84 g/mol
• Exact Mass: 856.29
• IUPAC Name: 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-methoxy-4-methylphenyl)methyl]quinolin-8-ol;4-methoxy-3-methylbenzaldehyde;quinolin-8-ol
• SMILES: COc1cc(C(Nc2cc(C)c(Cl)cn2)c2ccc3cccnc3c2O)ccc1C.COc1ccc(C=O)cc1C.Cc1cc(N)ncc1Cl.Oc1cccc2cccnc12
• InChI: InChI=1S/C24H22ClN3O2.C9H7NO.C9H10O2.C6H7ClN2/c1-14-6-7-17(12-20(14)30-3)22(28-21-11-15(2)19(25)13-27-21)18-9-8-16-5-4-10-26-23(16)24(18)29;11-8-5-1-3-7-4-2-6-10-9(7)8;1-7-5-8(6-10)3-4-9(7)11-2;1-4-2-6(8)9-3-5(4)7/h4-13,22,29H,1-3H3,(H,27,28);1-6,11H;3-6H,1-2H3;2-3H,1H3,(H2,8,9)
• InChIKey: BWPSDVBDECDWCV-UHFFFAOYSA-N
• XLogP: 11.20
• TPSA: 165.60 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	857.84
LogP ≤ 5	11.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-methoxy-4-methylphenyl)methyl]quinolin-8-ol;4-methoxy-3-methylbenzaldehyde;quinolin-8-ol?

The IUPAC name of 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-methoxy-4-methylphenyl)methyl]quinolin-8-ol;4-methoxy-3-methylbenzaldehyde;quinolin-8-ol (CID 157485107) is 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-methoxy-4-methylphenyl)methyl]quinolin-8-ol;4-methoxy-3-methylbenzaldehyde;quinolin-8-ol.

What is the SMILES notation for 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-methoxy-4-methylphenyl)methyl]quinolin-8-ol;4-methoxy-3-methylbenzaldehyde;quinolin-8-ol?

The canonical SMILES for 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-methoxy-4-methylphenyl)methyl]quinolin-8-ol;4-methoxy-3-methylbenzaldehyde;quinolin-8-ol is COc1cc(C(Nc2cc(C)c(Cl)cn2)c2ccc3cccnc3c2O)ccc1C.COc1ccc(C=O)cc1C.Cc1cc(N)ncc1Cl.Oc1cccc2cccnc12.

What is the InChIKey of 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-methoxy-4-methylphenyl)methyl]quinolin-8-ol;4-methoxy-3-methylbenzaldehyde;quinolin-8-ol?

The InChIKey is BWPSDVBDECDWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O2.C9H7NO.C9H10O2.C6H7ClN2/c1-14-6-7-17(12-20(14)30-3)22(28-21-11-15(2)19(25)13-27-21)18-9-8-16-5-4-10-26-23(16)24(18)29;11-8-5-1-3-7-4-2-6-10-9(7)8;1-7-5-8(6-10)3-4-9(7)11-2;1-4-2-6(8)9-3-5(4)7/h4-13,22,29H,1-3H3,(H,27,28);1-6,11H;3-6H,1-2H3;2-3H,1H3,(H2,8,9).

What are the key properties of 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-methoxy-4-methylphenyl)methyl]quinolin-8-ol;4-methoxy-3-methylbenzaldehyde;quinolin-8-ol?

5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-methoxy-4-methylphenyl)methyl]quinolin-8-ol;4-methoxy-3-methylbenzaldehyde;quinolin-8-ol has a molecular weight of 857.84 g/mol, XLogP of 11.20, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-methylpyridin-2-amine;7-[[(5-chloro-4-methyl-2-pyridinyl)amino]-(3-methoxy-4-methylphenyl)methyl]quinolin-8-ol;4-methoxy-3-methylbenzaldehyde;quinolin-8-ol is sourced from PubChem (CID 157485107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).