ethyl 3-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate

C22H18FNO3 — CID 1484845

IUPACethyl 3-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2ccc(OCc3ccc(F)cc3)cc2n2ccccc12
InChIInChI=1S/C22H18FNO3/c1-2-26-22(25)21-18-11-10-17(27-14-15-6-8-16(23)9-7-15)13-20(18)24-12-4-3-5-19(21)24/h3-13H,2,14H2,1H3
InChIKeyKSNVCXAKLDGNEN-UHFFFAOYSA-N
MW363.39 g/mol
LogP4.99
Rot. Bonds5

About ethyl 3-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate

ethyl 3-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate (PubChem CID 1484845) has the molecular formula C22H18FNO3 and a molecular weight of 363.39 g/mol. Its IUPAC name is ethyl 3-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate
PubChem CID1484845
Molecular FormulaC22H18FNO3
Molecular Weight363.39 g/mol
Exact Mass363.13
IUPAC Nameethyl 3-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate
SMILESCCOC(=O)c1c2ccc(OCc3ccc(F)cc3)cc2n2ccccc12
InChIInChI=1S/C22H18FNO3/c1-2-26-22(25)21-18-11-10-17(27-14-15-6-8-16(23)9-7-15)13-20(18)24-12-4-3-5-19(21)24/h3-13H,2,14H2,1H3
InChIKeyKSNVCXAKLDGNEN-UHFFFAOYSA-N
XLogP4.99
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate?
The IUPAC name of ethyl 3-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate (CID 1484845) is ethyl 3-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate.
What is the SMILES notation for ethyl 3-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate?
The canonical SMILES for ethyl 3-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate is CCOC(=O)c1c2ccc(OCc3ccc(F)cc3)cc2n2ccccc12.
What is the InChIKey of ethyl 3-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate?
The InChIKey is KSNVCXAKLDGNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FNO3/c1-2-26-22(25)21-18-11-10-17(27-14-15-6-8-16(23)9-7-15)13-20(18)24-12-4-3-5-19(21)24/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 3-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate?
ethyl 3-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate has a molecular weight of 363.39 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-fluorophenyl)methoxy]pyrido[1,2-a]indole-10-carboxylate is sourced from PubChem (CID 1484845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).