4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine

C24H22ClNO3S — CID 126695472

IUPAC4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine
SMILESCCc1cnc(Cl)c2c(COc3cccc(OCc4ccc(OC)cc4)c3)csc12
InChIInChI=1S/C24H22ClNO3S/c1-3-17-12-26-24(25)22-18(15-30-23(17)22)14-29-21-6-4-5-20(11-21)28-13-16-7-9-19(27-2)10-8-16/h4-12,15H,3,13-14H2,1-2H3
InChIKeyRAPZMJKXJKQVHZ-UHFFFAOYSA-N
MW439.96 g/mol
LogP6.68
Rot. Bonds8

About 4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine

4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine (PubChem CID 126695472) has the molecular formula C24H22ClNO3S and a molecular weight of 439.96 g/mol. Its IUPAC name is 4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine.

Molecular Properties

Compound Name4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine
PubChem CID126695472
Molecular FormulaC24H22ClNO3S
Molecular Weight439.96 g/mol
Exact Mass439.10
IUPAC Name4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine
SMILESCCc1cnc(Cl)c2c(COc3cccc(OCc4ccc(OC)cc4)c3)csc12
InChIInChI=1S/C24H22ClNO3S/c1-3-17-12-26-24(25)22-18(15-30-23(17)22)14-29-21-6-4-5-20(11-21)28-13-16-7-9-19(27-2)10-8-16/h4-12,15H,3,13-14H2,1-2H3
InChIKeyRAPZMJKXJKQVHZ-UHFFFAOYSA-N
XLogP6.68
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.96
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine with MolForge

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Related Compounds

ethyl 4-amino-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate;methane
CID 160618390
4-amino-N-(2-hydroxyethyl)-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxamide;methane
CID 161008574
ethyl 4-chloro-3-[[3-[2-(4-chlorophenyl)ethoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate
CID 86611391
ethyl 4-chloro-3-[[3-methyl-5-[(4-methylphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate
CID 58832910
4-chloro-3-[[3-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylic acid
CID 141166246
ethyl 4-chloro-3-[[3-[(2,4-difluorophenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate
CID 58832967
(2-amino-2-oxoethyl) 4-amino-3-[[3-[2-[(4-methoxyphenyl)methyl]tetrazol-5-yl]phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate
CID 67100927
ethyl 4-chloro-3-[[3-[(3,4-difluorophenyl)methoxy]-5-methylphenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate
CID 58832981
ethyl 4-chloro-3-[[3-(5-ethyl-1,3,4-oxadiazol-2-yl)phenoxy]methyl]thieno[3,2-c]pyridine-7-carboxylate
CID 87518037
3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
ethyl 4-amino-3-[(3-phenoxyphenoxy)methyl]thieno[3,2-c]pyridine-7-carboxylate;methane
CID 162100170
[4-amino-3-[[3-[(5-chlorothiophen-2-yl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridin-7-yl] ethyl carbonate
CID 126662730

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine?
The IUPAC name of 4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine (CID 126695472) is 4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine.
What is the SMILES notation for 4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine?
The canonical SMILES for 4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine is CCc1cnc(Cl)c2c(COc3cccc(OCc4ccc(OC)cc4)c3)csc12.
What is the InChIKey of 4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine?
The InChIKey is RAPZMJKXJKQVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClNO3S/c1-3-17-12-26-24(25)22-18(15-30-23(17)22)14-29-21-6-4-5-20(11-21)28-13-16-7-9-19(27-2)10-8-16/h4-12,15H,3,13-14H2,1-2H3.
What are the key properties of 4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine?
4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine has a molecular weight of 439.96 g/mol, XLogP of 6.68, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-ethyl-3-[[3-[(4-methoxyphenyl)methoxy]phenoxy]methyl]thieno[3,2-c]pyridine is sourced from PubChem (CID 126695472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).