7-[(3-hydroxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

C23H21N3O3 — CID 2923415

IUPAC7-[(3-hydroxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCOc1ccc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1O
InChIInChI=1S/C23H21N3O3/c1-14-9-11-24-20(12-14)26-21(16-6-8-19(29-2)18(27)13-16)17-7-5-15-4-3-10-25-22(15)23(17)28/h3-13,21,27-28H,1-2H3,(H,24,26)
InChIKeyFCTHDIWMHUZDNV-UHFFFAOYSA-N
MW387.44 g/mol
LogP4.56
Rot. Bonds5

About 7-[(3-hydroxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

7-[(3-hydroxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 2923415) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 7-[(3-hydroxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[(3-hydroxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
PubChem CID2923415
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name7-[(3-hydroxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
SMILESCOc1ccc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1O
InChIInChI=1S/C23H21N3O3/c1-14-9-11-24-20(12-14)26-21(16-6-8-19(29-2)18(27)13-16)17-7-5-15-4-3-10-25-22(15)23(17)28/h3-13,21,27-28H,1-2H3,(H,24,26)
InChIKeyFCTHDIWMHUZDNV-UHFFFAOYSA-N
XLogP4.56
TPSA87.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 7-[(3-hydroxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The IUPAC name of 7-[(3-hydroxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (CID 2923415) is 7-[(3-hydroxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.
What is the SMILES notation for 7-[(3-hydroxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The canonical SMILES for 7-[(3-hydroxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is COc1ccc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1O.
What is the InChIKey of 7-[(3-hydroxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
The InChIKey is FCTHDIWMHUZDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-14-9-11-24-20(12-14)26-21(16-6-8-19(29-2)18(27)13-16)17-7-5-15-4-3-10-25-22(15)23(17)28/h3-13,21,27-28H,1-2H3,(H,24,26).
What are the key properties of 7-[(3-hydroxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?
7-[(3-hydroxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol has a molecular weight of 387.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-hydroxy-4-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 2923415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).