ethyl 7-(5-chloro-2-hydroxybenzoyl)-10-ethylpyrido[1,2-a]indole-9-carboxylate

C24H20ClNO4 — CID 101467903

IUPACethyl 7-(5-chloro-2-hydroxybenzoyl)-10-ethylpyrido[1,2-a]indole-9-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cc(Cl)ccc2O)cn2c1c(CC)c1ccccc12
InChIInChI=1S/C24H20ClNO4/c1-3-16-17-7-5-6-8-20(17)26-13-14(11-19(22(16)26)24(29)30-4-2)23(28)18-12-15(25)9-10-21(18)27/h5-13,27H,3-4H2,1-2H3
InChIKeyKBEBCHPWNDHPSS-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.42
Rot. Bonds5

About ethyl 7-(5-chloro-2-hydroxybenzoyl)-10-ethylpyrido[1,2-a]indole-9-carboxylate

ethyl 7-(5-chloro-2-hydroxybenzoyl)-10-ethylpyrido[1,2-a]indole-9-carboxylate (PubChem CID 101467903) has the molecular formula C24H20ClNO4 and a molecular weight of 421.88 g/mol. Its IUPAC name is ethyl 7-(5-chloro-2-hydroxybenzoyl)-10-ethylpyrido[1,2-a]indole-9-carboxylate.

Molecular Properties

Compound Nameethyl 7-(5-chloro-2-hydroxybenzoyl)-10-ethylpyrido[1,2-a]indole-9-carboxylate
PubChem CID101467903
Molecular FormulaC24H20ClNO4
Molecular Weight421.88 g/mol
Exact Mass421.11
IUPAC Nameethyl 7-(5-chloro-2-hydroxybenzoyl)-10-ethylpyrido[1,2-a]indole-9-carboxylate
SMILESCCOC(=O)c1cc(C(=O)c2cc(Cl)ccc2O)cn2c1c(CC)c1ccccc12
InChIInChI=1S/C24H20ClNO4/c1-3-16-17-7-5-6-8-20(17)26-13-14(11-19(22(16)26)24(29)30-4-2)23(28)18-12-15(25)9-10-21(18)27/h5-13,27H,3-4H2,1-2H3
InChIKeyKBEBCHPWNDHPSS-UHFFFAOYSA-N
XLogP5.42
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 3-[(5-chloro-2-hydroxybenzoyl)amino]benzoate
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Frequently Asked Questions

What is the IUPAC name of ethyl 7-(5-chloro-2-hydroxybenzoyl)-10-ethylpyrido[1,2-a]indole-9-carboxylate?
The IUPAC name of ethyl 7-(5-chloro-2-hydroxybenzoyl)-10-ethylpyrido[1,2-a]indole-9-carboxylate (CID 101467903) is ethyl 7-(5-chloro-2-hydroxybenzoyl)-10-ethylpyrido[1,2-a]indole-9-carboxylate.
What is the SMILES notation for ethyl 7-(5-chloro-2-hydroxybenzoyl)-10-ethylpyrido[1,2-a]indole-9-carboxylate?
The canonical SMILES for ethyl 7-(5-chloro-2-hydroxybenzoyl)-10-ethylpyrido[1,2-a]indole-9-carboxylate is CCOC(=O)c1cc(C(=O)c2cc(Cl)ccc2O)cn2c1c(CC)c1ccccc12.
What is the InChIKey of ethyl 7-(5-chloro-2-hydroxybenzoyl)-10-ethylpyrido[1,2-a]indole-9-carboxylate?
The InChIKey is KBEBCHPWNDHPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO4/c1-3-16-17-7-5-6-8-20(17)26-13-14(11-19(22(16)26)24(29)30-4-2)23(28)18-12-15(25)9-10-21(18)27/h5-13,27H,3-4H2,1-2H3.
What are the key properties of ethyl 7-(5-chloro-2-hydroxybenzoyl)-10-ethylpyrido[1,2-a]indole-9-carboxylate?
ethyl 7-(5-chloro-2-hydroxybenzoyl)-10-ethylpyrido[1,2-a]indole-9-carboxylate has a molecular weight of 421.88 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(5-chloro-2-hydroxybenzoyl)-10-ethylpyrido[1,2-a]indole-9-carboxylate is sourced from PubChem (CID 101467903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).