2-[2-(4-butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol

C29H26N4O — CID 136879536

IUPAC2-[2-(4-butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol
SMILESCCCCc1ccc(-c2nc(-c3cccc(C)n3)cc(-c3ccc4cccc(O)c4n3)n2)cc1
InChIInChI=1S/C29H26N4O/c1-3-4-8-20-12-14-22(15-13-20)29-32-25(23-10-5-7-19(2)30-23)18-26(33-29)24-17-16-21-9-6-11-27(34)28(21)31-24/h5-7,9-18,34H,3-4,8H2,1-2H3
InChIKeyLPDGDWPZZAZUII-UHFFFAOYSA-N
MW446.55 g/mol
LogP6.78
Rot. Bonds6

About 2-[2-(4-butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol

2-[2-(4-butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol (PubChem CID 136879536) has the molecular formula C29H26N4O and a molecular weight of 446.55 g/mol. Its IUPAC name is 2-[2-(4-butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol.

Molecular Properties

Compound Name2-[2-(4-butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol
PubChem CID136879536
Molecular FormulaC29H26N4O
Molecular Weight446.55 g/mol
Exact Mass446.21
IUPAC Name2-[2-(4-butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol
SMILESCCCCc1ccc(-c2nc(-c3cccc(C)n3)cc(-c3ccc4cccc(O)c4n3)n2)cc1
InChIInChI=1S/C29H26N4O/c1-3-4-8-20-12-14-22(15-13-20)29-32-25(23-10-5-7-19(2)30-23)18-26(33-29)24-17-16-21-9-6-11-27(34)28(21)31-24/h5-7,9-18,34H,3-4,8H2,1-2H3
InChIKeyLPDGDWPZZAZUII-UHFFFAOYSA-N
XLogP6.78
TPSA71.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-Quinolin-2-ylpiperazin-1-yl)phenol
CID 4260558
2-(4-Fluoro-2-methyl-phenylamino)-4-(methyl-phenyl-amino)-quinazolin-8-ol
CID 10044934
4-(Methyl-phenyl-amino)-2-o-tolylamino-quinazolin-8-ol
CID 10405977
2-(4-fluoro-2-methylanilino)-4-(N-methylanilino)quinazolin-8-ol;hydrobromide
CID 44537357
2-(4-(4-Methylpiperazin-1-yl)quinazolin-2-yl)phenol
CID 879195
2-(Piperidin-1-yl)quinolin-8-ol
CID 275310
N-Butyl-2,2'-imino-di(8-quinolinol)
CID 2831980
6-[2-(4-Methylpiperazino)-4-pyridyl]quinolin-8-ol
CID 44142411
7-[2-Pyridyl(4-(2-pyridyl)piperazinyl)methyl]quinolin-8-ol
CID 4067610
7-[Phenyl(2-pyrimidinylamino)methyl]-8-quinolinol
CID 4187781
2-Methyl-7-[phenyl-(pyrimidin-2-ylamino)methyl]quinolin-8-ol
CID 137636202
2,2'-(Methylimino)diquinolin-8-ol
CID 688644

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol?
The IUPAC name of 2-[2-(4-butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol (CID 136879536) is 2-[2-(4-butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol.
What is the SMILES notation for 2-[2-(4-butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol?
The canonical SMILES for 2-[2-(4-butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol is CCCCc1ccc(-c2nc(-c3cccc(C)n3)cc(-c3ccc4cccc(O)c4n3)n2)cc1.
What is the InChIKey of 2-[2-(4-butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol?
The InChIKey is LPDGDWPZZAZUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O/c1-3-4-8-20-12-14-22(15-13-20)29-32-25(23-10-5-7-19(2)30-23)18-26(33-29)24-17-16-21-9-6-11-27(34)28(21)31-24/h5-7,9-18,34H,3-4,8H2,1-2H3.
What are the key properties of 2-[2-(4-butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol?
2-[2-(4-butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol has a molecular weight of 446.55 g/mol, XLogP of 6.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butylphenyl)-6-(6-methyl-2-pyridinyl)pyrimidin-4-yl]quinolin-8-ol is sourced from PubChem (CID 136879536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).