ethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate

C22H17F2NO3 — CID 66667539

IUPACethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2ccccc2n2cc(OCc3c(F)cccc3F)ccc12
InChIInChI=1S/C22H17F2NO3/c1-2-27-22(26)21-15-6-3-4-9-19(15)25-12-14(10-11-20(21)25)28-13-16-17(23)7-5-8-18(16)24/h3-12H,2,13H2,1H3
InChIKeyRBRMFSNEQTZKIY-UHFFFAOYSA-N
MW381.38 g/mol
LogP5.13
Rot. Bonds5

About ethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate

ethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate (PubChem CID 66667539) has the molecular formula C22H17F2NO3 and a molecular weight of 381.38 g/mol. Its IUPAC name is ethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate
PubChem CID66667539
Molecular FormulaC22H17F2NO3
Molecular Weight381.38 g/mol
Exact Mass381.12
IUPAC Nameethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2ccccc2n2cc(OCc3c(F)cccc3F)ccc12
InChIInChI=1S/C22H17F2NO3/c1-2-27-22(26)21-15-6-3-4-9-19(15)25-12-14(10-11-20(21)25)28-13-16-17(23)7-5-8-18(16)24/h3-12H,2,13H2,1H3
InChIKeyRBRMFSNEQTZKIY-UHFFFAOYSA-N
XLogP5.13
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.38
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of ethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate (CID 66667539) is ethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for ethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for ethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate is CCOC(=O)c1c2ccccc2n2cc(OCc3c(F)cccc3F)ccc12.
What is the InChIKey of ethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is RBRMFSNEQTZKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2NO3/c1-2-27-22(26)21-15-6-3-4-9-19(15)25-12-14(10-11-20(21)25)28-13-16-17(23)7-5-8-18(16)24/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate?
ethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 381.38 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(2,6-difluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 66667539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).