3-(3,5-dimethylphenyl)-6-(5-fluoro-6-methyl-2-pyridinyl)-4-(3-piperidin-2-ylpropyl)quinolin-7-ol

C31H34FN3O — CID 143661132

IUPAC3-(3,5-dimethylphenyl)-6-(5-fluoro-6-methyl-2-pyridinyl)-4-(3-piperidin-2-ylpropyl)quinolin-7-ol
SMILESCc1cc(C)cc(-c2cnc3cc(O)c(-c4ccc(F)c(C)n4)cc3c2CCCC2CCCCN2)c1
InChIInChI=1S/C31H34FN3O/c1-19-13-20(2)15-22(14-19)27-18-34-30-17-31(36)26(29-11-10-28(32)21(3)35-29)16-25(30)24(27)9-6-8-23-7-4-5-12-33-23/h10-11,13-18,23,33,36H,4-9,12H2,1-3H3
InChIKeyZIITVNQDXSREHU-UHFFFAOYSA-N
MW483.63 g/mol
LogP7.20
Rot. Bonds6

About 3-(3,5-dimethylphenyl)-6-(5-fluoro-6-methyl-2-pyridinyl)-4-(3-piperidin-2-ylpropyl)quinolin-7-ol

3-(3,5-dimethylphenyl)-6-(5-fluoro-6-methyl-2-pyridinyl)-4-(3-piperidin-2-ylpropyl)quinolin-7-ol (PubChem CID 143661132) has the molecular formula C31H34FN3O and a molecular weight of 483.63 g/mol. Its IUPAC name is 3-(3,5-dimethylphenyl)-6-(5-fluoro-6-methyl-2-pyridinyl)-4-(3-piperidin-2-ylpropyl)quinolin-7-ol.

Molecular Properties

Compound Name3-(3,5-dimethylphenyl)-6-(5-fluoro-6-methyl-2-pyridinyl)-4-(3-piperidin-2-ylpropyl)quinolin-7-ol
PubChem CID143661132
Molecular FormulaC31H34FN3O
Molecular Weight483.63 g/mol
Exact Mass483.27
IUPAC Name3-(3,5-dimethylphenyl)-6-(5-fluoro-6-methyl-2-pyridinyl)-4-(3-piperidin-2-ylpropyl)quinolin-7-ol
SMILESCc1cc(C)cc(-c2cnc3cc(O)c(-c4ccc(F)c(C)n4)cc3c2CCCC2CCCCN2)c1
InChIInChI=1S/C31H34FN3O/c1-19-13-20(2)15-22(14-19)27-18-34-30-17-31(36)26(29-11-10-28(32)21(3)35-29)16-25(30)24(27)9-6-8-23-7-4-5-12-33-23/h10-11,13-18,23,33,36H,4-9,12H2,1-3H3
InChIKeyZIITVNQDXSREHU-UHFFFAOYSA-N
XLogP7.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.63
LogP ≤ 57.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenyl)-6-(5-fluoro-6-methyl-2-pyridinyl)-4-(3-piperidin-2-ylpropyl)quinolin-7-ol?
The IUPAC name of 3-(3,5-dimethylphenyl)-6-(5-fluoro-6-methyl-2-pyridinyl)-4-(3-piperidin-2-ylpropyl)quinolin-7-ol (CID 143661132) is 3-(3,5-dimethylphenyl)-6-(5-fluoro-6-methyl-2-pyridinyl)-4-(3-piperidin-2-ylpropyl)quinolin-7-ol.
What is the SMILES notation for 3-(3,5-dimethylphenyl)-6-(5-fluoro-6-methyl-2-pyridinyl)-4-(3-piperidin-2-ylpropyl)quinolin-7-ol?
The canonical SMILES for 3-(3,5-dimethylphenyl)-6-(5-fluoro-6-methyl-2-pyridinyl)-4-(3-piperidin-2-ylpropyl)quinolin-7-ol is Cc1cc(C)cc(-c2cnc3cc(O)c(-c4ccc(F)c(C)n4)cc3c2CCCC2CCCCN2)c1.
What is the InChIKey of 3-(3,5-dimethylphenyl)-6-(5-fluoro-6-methyl-2-pyridinyl)-4-(3-piperidin-2-ylpropyl)quinolin-7-ol?
The InChIKey is ZIITVNQDXSREHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN3O/c1-19-13-20(2)15-22(14-19)27-18-34-30-17-31(36)26(29-11-10-28(32)21(3)35-29)16-25(30)24(27)9-6-8-23-7-4-5-12-33-23/h10-11,13-18,23,33,36H,4-9,12H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenyl)-6-(5-fluoro-6-methyl-2-pyridinyl)-4-(3-piperidin-2-ylpropyl)quinolin-7-ol?
3-(3,5-dimethylphenyl)-6-(5-fluoro-6-methyl-2-pyridinyl)-4-(3-piperidin-2-ylpropyl)quinolin-7-ol has a molecular weight of 483.63 g/mol, XLogP of 7.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenyl)-6-(5-fluoro-6-methyl-2-pyridinyl)-4-(3-piperidin-2-ylpropyl)quinolin-7-ol is sourced from PubChem (CID 143661132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).