2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol

C25H23ClN2O — CID 126594035

IUPAC2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol
SMILESCc1cc2nc(C(C)(C)O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C25H23ClN2O/c1-15-13-21-24(16(2)23(15)17-9-11-27-12-10-17)19(14-22(28-21)25(3,4)29)18-7-5-6-8-20(18)26/h5-14,29H,1-4H3
InChIKeyOARKUKXJGKPHGK-UHFFFAOYSA-N
MW402.93 g/mol
LogP6.46
Rot. Bonds3

About 2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol

2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol (PubChem CID 126594035) has the molecular formula C25H23ClN2O and a molecular weight of 402.93 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol
PubChem CID126594035
Molecular FormulaC25H23ClN2O
Molecular Weight402.93 g/mol
Exact Mass402.15
IUPAC Name2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol
SMILESCc1cc2nc(C(C)(C)O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1
InChIInChI=1S/C25H23ClN2O/c1-15-13-21-24(16(2)23(15)17-9-11-27-12-10-17)19(14-22(28-21)25(3,4)29)18-7-5-6-8-20(18)26/h5-14,29H,1-4H3
InChIKeyOARKUKXJGKPHGK-UHFFFAOYSA-N
XLogP6.46
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.93
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol?
The IUPAC name of 2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol (CID 126594035) is 2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol is Cc1cc2nc(C(C)(C)O)cc(-c3ccccc3Cl)c2c(C)c1-c1ccncc1.
What is the InChIKey of 2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol?
The InChIKey is OARKUKXJGKPHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O/c1-15-13-21-24(16(2)23(15)17-9-11-27-12-10-17)19(14-22(28-21)25(3,4)29)18-7-5-6-8-20(18)26/h5-14,29H,1-4H3.
What are the key properties of 2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol?
2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol has a molecular weight of 402.93 g/mol, XLogP of 6.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-5,7-dimethyl-6-pyridin-4-ylquinolin-2-yl]propan-2-ol is sourced from PubChem (CID 126594035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).