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

C29H25N3O2 — CID 2895488

IUPAC7-[[(4-methyl-2-pyridinyl)amino]-(3-phenylmethoxyphenyl)methyl]quinolin-8-ol
SMILESCc1ccnc(NC(c2cccc(OCc3ccccc3)c2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C29H25N3O2/c1-20-14-16-30-26(17-20)32-27(25-13-12-22-10-6-15-31-28(22)29(25)33)23-9-5-11-24(18-23)34-19-21-7-3-2-4-8-21/h2-18,27,33H,19H2,1H3,(H,30,32)
InChIKeyYGDWDKVACVMXAO-UHFFFAOYSA-N
MW447.54 g/mol
LogP6.42
Rot. Bonds7

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

7-[[(4-methyl-2-pyridinyl)amino]-(3-phenylmethoxyphenyl)methyl]quinolin-8-ol (PubChem CID 2895488) has the molecular formula C29H25N3O2 and a molecular weight of 447.54 g/mol. Its IUPAC name is 7-[[(4-methyl-2-pyridinyl)amino]-(3-phenylmethoxyphenyl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name7-[[(4-methyl-2-pyridinyl)amino]-(3-phenylmethoxyphenyl)methyl]quinolin-8-ol
PubChem CID2895488
Molecular FormulaC29H25N3O2
Molecular Weight447.54 g/mol
Exact Mass447.19
IUPAC Name7-[[(4-methyl-2-pyridinyl)amino]-(3-phenylmethoxyphenyl)methyl]quinolin-8-ol
SMILESCc1ccnc(NC(c2cccc(OCc3ccccc3)c2)c2ccc3cccnc3c2O)c1
InChIInChI=1S/C29H25N3O2/c1-20-14-16-30-26(17-20)32-27(25-13-12-22-10-6-15-31-28(22)29(25)33)23-9-5-11-24(18-23)34-19-21-7-3-2-4-8-21/h2-18,27,33H,19H2,1H3,(H,30,32)
InChIKeyYGDWDKVACVMXAO-UHFFFAOYSA-N
XLogP6.42
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[(4-methyl-2-pyridinyl)amino]-(3-phenylmethoxyphenyl)methyl]quinolin-8-ol?
The IUPAC name of 7-[[(4-methyl-2-pyridinyl)amino]-(3-phenylmethoxyphenyl)methyl]quinolin-8-ol (CID 2895488) is 7-[[(4-methyl-2-pyridinyl)amino]-(3-phenylmethoxyphenyl)methyl]quinolin-8-ol.
What is the SMILES notation for 7-[[(4-methyl-2-pyridinyl)amino]-(3-phenylmethoxyphenyl)methyl]quinolin-8-ol?
The canonical SMILES for 7-[[(4-methyl-2-pyridinyl)amino]-(3-phenylmethoxyphenyl)methyl]quinolin-8-ol is Cc1ccnc(NC(c2cccc(OCc3ccccc3)c2)c2ccc3cccnc3c2O)c1.
What is the InChIKey of 7-[[(4-methyl-2-pyridinyl)amino]-(3-phenylmethoxyphenyl)methyl]quinolin-8-ol?
The InChIKey is YGDWDKVACVMXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O2/c1-20-14-16-30-26(17-20)32-27(25-13-12-22-10-6-15-31-28(22)29(25)33)23-9-5-11-24(18-23)34-19-21-7-3-2-4-8-21/h2-18,27,33H,19H2,1H3,(H,30,32).
What are the key properties of 7-[[(4-methyl-2-pyridinyl)amino]-(3-phenylmethoxyphenyl)methyl]quinolin-8-ol?
7-[[(4-methyl-2-pyridinyl)amino]-(3-phenylmethoxyphenyl)methyl]quinolin-8-ol has a molecular weight of 447.54 g/mol, XLogP of 6.42, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(4-methyl-2-pyridinyl)amino]-(3-phenylmethoxyphenyl)methyl]quinolin-8-ol is sourced from PubChem (CID 2895488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).