2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-4-methyl-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol

C31H34Cl2N4O4 — CID 146206813

IUPAC2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-4-methyl-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
SMILESCOc1nc(-c2cccc(-c3cccc(-c4cc(C)c(CNCCO)c(OC)n4)c3Cl)c2Cl)ccc1CNCCO
InChIInChI=1S/C31H34Cl2N4O4/c1-19-16-27(37-31(41-3)25(19)18-35-13-15-39)24-9-5-7-22(29(24)33)21-6-4-8-23(28(21)32)26-11-10-20(17-34-12-14-38)30(36-26)40-2/h4-11,16,34-35,38-39H,12-15,17-18H2,1-3H3
InChIKeyMCFMMOPRBCLEET-UHFFFAOYSA-N
MW597.54 g/mol
LogP5.27
Rot. Bonds13

About 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-4-methyl-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol

2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-4-methyl-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol (PubChem CID 146206813) has the molecular formula C31H34Cl2N4O4 and a molecular weight of 597.54 g/mol. Its IUPAC name is 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-4-methyl-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-4-methyl-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
PubChem CID146206813
Molecular FormulaC31H34Cl2N4O4
Molecular Weight597.54 g/mol
Exact Mass596.20
IUPAC Name2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-4-methyl-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol
SMILESCOc1nc(-c2cccc(-c3cccc(-c4cc(C)c(CNCCO)c(OC)n4)c3Cl)c2Cl)ccc1CNCCO
InChIInChI=1S/C31H34Cl2N4O4/c1-19-16-27(37-31(41-3)25(19)18-35-13-15-39)24-9-5-7-22(29(24)33)21-6-4-8-23(28(21)32)26-11-10-20(17-34-12-14-38)30(36-26)40-2/h4-11,16,34-35,38-39H,12-15,17-18H2,1-3H3
InChIKeyMCFMMOPRBCLEET-UHFFFAOYSA-N
XLogP5.27
TPSA108.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.54
LogP ≤ 55.27
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-4-methyl-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-4-methyl-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-4-methyl-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol (CID 146206813) is 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-4-methyl-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-4-methyl-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-4-methyl-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol is COc1nc(-c2cccc(-c3cccc(-c4cc(C)c(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-4-methyl-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?
The InChIKey is MCFMMOPRBCLEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34Cl2N4O4/c1-19-16-27(37-31(41-3)25(19)18-35-13-15-39)24-9-5-7-22(29(24)33)21-6-4-8-23(28(21)32)26-11-10-20(17-34-12-14-38)30(36-26)40-2/h4-11,16,34-35,38-39H,12-15,17-18H2,1-3H3.
What are the key properties of 2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-4-methyl-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol?
2-[[6-[2-chloro-3-[2-chloro-3-[5-[(2-hydroxyethylamino)methyl]-6-methoxy-4-methyl-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol has a molecular weight of 597.54 g/mol, XLogP of 5.27, 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-4-methyl-2-pyridinyl]phenyl]phenyl]-2-methoxy-3-pyridinyl]methylamino]ethanol is sourced from PubChem (CID 146206813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).