2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol

C26H27N3O4 — CID 2940765

IUPAC2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol
SMILESCOc1ccc(C(Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)c(OC)c1OC
InChIInChI=1S/C26H27N3O4/c1-15-7-6-8-21(27-15)29-23(19-13-14-20(31-3)26(33-5)25(19)32-4)18-12-11-17-10-9-16(2)28-22(17)24(18)30/h6-14,23,30H,1-5H3,(H,27,29)
InChIKeyPWOPJJWARHVWIL-UHFFFAOYSA-N
MW445.52 g/mol
LogP5.18
Rot. Bonds7

About 2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol

2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol (PubChem CID 2940765) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol
PubChem CID2940765
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol
SMILESCOc1ccc(C(Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)c(OC)c1OC
InChIInChI=1S/C26H27N3O4/c1-15-7-6-8-21(27-15)29-23(19-13-14-20(31-3)26(33-5)25(19)32-4)18-12-11-17-10-9-16(2)28-22(17)24(18)30/h6-14,23,30H,1-5H3,(H,27,29)
InChIKeyPWOPJJWARHVWIL-UHFFFAOYSA-N
XLogP5.18
TPSA85.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol?
The IUPAC name of 2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol (CID 2940765) is 2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol.
What is the SMILES notation for 2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol?
The canonical SMILES for 2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol is COc1ccc(C(Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)c(OC)c1OC.
What is the InChIKey of 2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol?
The InChIKey is PWOPJJWARHVWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-15-7-6-8-21(27-15)29-23(19-13-14-20(31-3)26(33-5)25(19)32-4)18-12-11-17-10-9-16(2)28-22(17)24(18)30/h6-14,23,30H,1-5H3,(H,27,29).
What are the key properties of 2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol?
2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol has a molecular weight of 445.52 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[[(6-methyl-2-pyridinyl)amino]-(2,3,4-trimethoxyphenyl)methyl]quinolin-8-ol is sourced from PubChem (CID 2940765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).