methyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate

C24H19ClN2O4 — CID 71082631

IUPACmethyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
SMILESCOC(=O)C1=C2c3[nH]c4ccccc4c3CCN2CC(C(=O)c2cc(Cl)ccc2O)=C1
InChIInChI=1S/C24H19ClN2O4/c1-31-24(30)18-10-13(23(29)17-11-14(25)6-7-20(17)28)12-27-9-8-16-15-4-2-3-5-19(15)26-21(16)22(18)27/h2-7,10-11,26,28H,8-9,12H2,1H3
InChIKeySFDZKYXJSRQZLA-UHFFFAOYSA-N
MW434.88 g/mol
LogP4.09
Rot. Bonds3

About methyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate

methyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate (PubChem CID 71082631) has the molecular formula C24H19ClN2O4 and a molecular weight of 434.88 g/mol. Its IUPAC name is methyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
PubChem CID71082631
Molecular FormulaC24H19ClN2O4
Molecular Weight434.88 g/mol
Exact Mass434.10
IUPAC Namemethyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate
SMILESCOC(=O)C1=C2c3[nH]c4ccccc4c3CCN2CC(C(=O)c2cc(Cl)ccc2O)=C1
InChIInChI=1S/C24H19ClN2O4/c1-31-24(30)18-10-13(23(29)17-11-14(25)6-7-20(17)28)12-27-9-8-16-15-4-2-3-5-19(15)26-21(16)22(18)27/h2-7,10-11,26,28H,8-9,12H2,1H3
InChIKeySFDZKYXJSRQZLA-UHFFFAOYSA-N
XLogP4.09
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.88
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate?
The IUPAC name of methyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate (CID 71082631) is methyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate.
What is the SMILES notation for methyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate?
The canonical SMILES for methyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate is COC(=O)C1=C2c3[nH]c4ccccc4c3CCN2CC(C(=O)c2cc(Cl)ccc2O)=C1.
What is the InChIKey of methyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate?
The InChIKey is SFDZKYXJSRQZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O4/c1-31-24(30)18-10-13(23(29)17-11-14(25)6-7-20(17)28)12-27-9-8-16-15-4-2-3-5-19(15)26-21(16)22(18)27/h2-7,10-11,26,28H,8-9,12H2,1H3.
What are the key properties of methyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate?
methyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate has a molecular weight of 434.88 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-chloro-2-hydroxybenzoyl)-4,6,7,12-tetrahydroindolo[2,3-a]quinolizine-1-carboxylate is sourced from PubChem (CID 71082631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).