7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol

C22H19N3O — CID 3056877

IUPAC7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol
SMILESCc1cccnc1NC(c1ccccc1)c1ccc2cccnc2c1O
InChIInChI=1S/C22H19N3O/c1-15-7-5-14-24-22(15)25-19(16-8-3-2-4-9-16)18-12-11-17-10-6-13-23-20(17)21(18)26/h2-14,19,26H,1H3,(H,24,25)
InChIKeyWKQUEMVLENNTJC-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.85
Rot. Bonds4

About 7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol

7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol (PubChem CID 3056877) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol
PubChem CID3056877
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol
SMILESCc1cccnc1NC(c1ccccc1)c1ccc2cccnc2c1O
InChIInChI=1S/C22H19N3O/c1-15-7-5-14-24-22(15)25-19(16-8-3-2-4-9-16)18-12-11-17-10-6-13-23-20(17)21(18)26/h2-14,19,26H,1H3,(H,24,25)
InChIKeyWKQUEMVLENNTJC-UHFFFAOYSA-N
XLogP4.85
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol?
The IUPAC name of 7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol (CID 3056877) is 7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol.
What is the SMILES notation for 7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol?
The canonical SMILES for 7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol is Cc1cccnc1NC(c1ccccc1)c1ccc2cccnc2c1O.
What is the InChIKey of 7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol?
The InChIKey is WKQUEMVLENNTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-15-7-5-14-24-22(15)25-19(16-8-3-2-4-9-16)18-12-11-17-10-6-13-23-20(17)21(18)26/h2-14,19,26H,1H3,(H,24,25).
What are the key properties of 7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol?
7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol has a molecular weight of 341.41 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(3-methyl-2-pyridinyl)amino]-phenylmethyl]quinolin-8-ol is sourced from PubChem (CID 3056877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).