9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one

C26H27N5O2S — CID 175339927

IUPAC9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one
SMILESCC(C)C1Cc2cc(OCCC3CC3)c(-c3nccs3)cc2-c2cc(=O)c(-c3ncn[nH]3)cn21
InChIInChI=1S/C26H27N5O2S/c1-15(2)21-9-17-10-24(33-7-5-16-3-4-16)19(26-27-6-8-34-26)11-18(17)22-12-23(32)20(13-31(21)22)25-28-14-29-30-25/h6,8,10-16,21H,3-5,7,9H2,1-2H3,(H,28,29,30)
InChIKeyQTHJGPQRKXXJEK-UHFFFAOYSA-N
MW473.60 g/mol
LogP5.36
Rot. Bonds7

About 9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one

9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one (PubChem CID 175339927) has the molecular formula C26H27N5O2S and a molecular weight of 473.60 g/mol. Its IUPAC name is 9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one
PubChem CID175339927
Molecular FormulaC26H27N5O2S
Molecular Weight473.60 g/mol
Exact Mass473.19
IUPAC Name9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one
SMILESCC(C)C1Cc2cc(OCCC3CC3)c(-c3nccs3)cc2-c2cc(=O)c(-c3ncn[nH]3)cn21
InChIInChI=1S/C26H27N5O2S/c1-15(2)21-9-17-10-24(33-7-5-16-3-4-16)19(26-27-6-8-34-26)11-18(17)22-12-23(32)20(13-31(21)22)25-28-14-29-30-25/h6,8,10-16,21H,3-5,7,9H2,1-2H3,(H,28,29,30)
InChIKeyQTHJGPQRKXXJEK-UHFFFAOYSA-N
XLogP5.36
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.60
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one?
The IUPAC name of 9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one (CID 175339927) is 9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for 9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one?
The canonical SMILES for 9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one is CC(C)C1Cc2cc(OCCC3CC3)c(-c3nccs3)cc2-c2cc(=O)c(-c3ncn[nH]3)cn21.
What is the InChIKey of 9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one?
The InChIKey is QTHJGPQRKXXJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S/c1-15(2)21-9-17-10-24(33-7-5-16-3-4-16)19(26-27-6-8-34-26)11-18(17)22-12-23(32)20(13-31(21)22)25-28-14-29-30-25/h6,8,10-16,21H,3-5,7,9H2,1-2H3,(H,28,29,30).
What are the key properties of 9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one?
9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one has a molecular weight of 473.60 g/mol, XLogP of 5.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-cyclopropylethoxy)-6-propan-2-yl-10-(1,3-thiazol-2-yl)-3-(1H-1,2,4-triazol-5-yl)-6,7-dihydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 175339927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).