2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol

C28H26ClN5O2 — CID 118014429

IUPAC2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol
SMILESCN(CCO)c1nc2ccc(C(O)(c3ccncc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1
InChIInChI=1S/C28H26ClN5O2/c1-33(14-15-35)27-25(19-6-4-3-5-7-19)26(29)22-16-21(8-9-23(22)32-27)28(36,20-10-12-30-13-11-20)24-17-31-18-34(24)2/h3-13,16-18,35-36H,14-15H2,1-2H3
InChIKeyZZVSEQGRJBFYNM-UHFFFAOYSA-N
MW500.00 g/mol
LogP4.40
Rot. Bonds7

About 2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol

2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol (PubChem CID 118014429) has the molecular formula C28H26ClN5O2 and a molecular weight of 500.00 g/mol. Its IUPAC name is 2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol
PubChem CID118014429
Molecular FormulaC28H26ClN5O2
Molecular Weight500.00 g/mol
Exact Mass499.18
IUPAC Name2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol
SMILESCN(CCO)c1nc2ccc(C(O)(c3ccncc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1
InChIInChI=1S/C28H26ClN5O2/c1-33(14-15-35)27-25(19-6-4-3-5-7-19)26(29)22-16-21(8-9-23(22)32-27)28(36,20-10-12-30-13-11-20)24-17-31-18-34(24)2/h3-13,16-18,35-36H,14-15H2,1-2H3
InChIKeyZZVSEQGRJBFYNM-UHFFFAOYSA-N
XLogP4.40
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.00
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol?
The IUPAC name of 2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol (CID 118014429) is 2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol.
What is the SMILES notation for 2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol?
The canonical SMILES for 2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol is CN(CCO)c1nc2ccc(C(O)(c3ccncc3)c3cncn3C)cc2c(Cl)c1-c1ccccc1.
What is the InChIKey of 2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol?
The InChIKey is ZZVSEQGRJBFYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClN5O2/c1-33(14-15-35)27-25(19-6-4-3-5-7-19)26(29)22-16-21(8-9-23(22)32-27)28(36,20-10-12-30-13-11-20)24-17-31-18-34(24)2/h3-13,16-18,35-36H,14-15H2,1-2H3.
What are the key properties of 2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol?
2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol has a molecular weight of 500.00 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-[hydroxy-(3-methylimidazol-4-yl)-pyridin-4-ylmethyl]-3-phenylquinolin-2-yl]-methylamino]ethanol is sourced from PubChem (CID 118014429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).