2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol

C30H32Cl2N4O4 — CID 146207017

IUPAC2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CNCCO)c(OC)n4)c3Cl)c2Cl)ccc1CNCCO
InChIInChI=1S/C30H32Cl2N4O4/c1-39-29-19(17-33-13-15-37)9-11-25(35-29)23-7-3-5-21(27(23)31)22-6-4-8-24(28(22)32)26-12-10-20(18-34-14-16-38)30(36-26)40-2/h3-12,33-34,37-38H,13-18H2,1-2H3
InChIKeyMOFWLGBOVMXWFS-UHFFFAOYSA-N
MW583.52 g/mol
LogP4.97
Rot. Bonds13

About 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol

2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol (PubChem CID 146207017) has the molecular formula C30H32Cl2N4O4 and a molecular weight of 583.52 g/mol. Its IUPAC name is 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
PubChem CID146207017
Molecular FormulaC30H32Cl2N4O4
Molecular Weight583.52 g/mol
Exact Mass582.18
IUPAC Name2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
SMILESCOc1nc(-c2cccc(-c3cccc(-c4ccc(CNCCO)c(OC)n4)c3Cl)c2Cl)ccc1CNCCO
InChIInChI=1S/C30H32Cl2N4O4/c1-39-29-19(17-33-13-15-37)9-11-25(35-29)23-7-3-5-21(27(23)31)22-6-4-8-24(28(22)32)26-12-10-20(18-34-14-16-38)30(36-26)40-2/h3-12,33-34,37-38H,13-18H2,1-2H3
InChIKeyMOFWLGBOVMXWFS-UHFFFAOYSA-N
XLogP4.97
TPSA108.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.52
LogP ≤ 54.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]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-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?
The IUPAC name of 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol (CID 146207017) is 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol.
What is the SMILES notation for 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?
The canonical SMILES for 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol is COc1nc(-c2cccc(-c3cccc(-c4ccc(CNCCO)c(OC)n4)c3Cl)c2Cl)ccc1CNCCO.
What is the InChIKey of 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?
The InChIKey is MOFWLGBOVMXWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32Cl2N4O4/c1-39-29-19(17-33-13-15-37)9-11-25(35-29)23-7-3-5-21(27(23)31)22-6-4-8-24(28(22)32)26-12-10-20(18-34-14-16-38)30(36-26)40-2/h3-12,33-34,37-38H,13-18H2,1-2H3.
What are the key properties of 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?
2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol has a molecular weight of 583.52 g/mol, XLogP of 4.97, 13 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol is sourced from PubChem (CID 146207017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).