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

C24H26N6O3S — CID 151450049

IUPAC9-(3-methoxypropoxy)-6-propan-2-yl-3-(2H-tetrazol-5-yl)-10-(1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one
SMILESCOCCCOc1cc2c(cc1-c1nccs1)-c1cc(=O)c(-c3nn[nH]n3)cn1C(C(C)C)C2
InChIInChI=1S/C24H26N6O3S/c1-14(2)19-9-15-10-22(33-7-4-6-32-3)17(24-25-5-8-34-24)11-16(15)20-12-21(31)18(13-30(19)20)23-26-28-29-27-23/h5,8,10-14,19H,4,6-7,9H2,1-3H3,(H,26,27,28,29)
InChIKeyPGHQUFHVYVOXDL-UHFFFAOYSA-N
MW478.58 g/mol
LogP3.99
Rot. Bonds8

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

9-(3-methoxypropoxy)-6-propan-2-yl-3-(2H-tetrazol-5-yl)-10-(1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one (PubChem CID 151450049) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 9-(3-methoxypropoxy)-6-propan-2-yl-3-(2H-tetrazol-5-yl)-10-(1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one.

Molecular Properties

Compound Name9-(3-methoxypropoxy)-6-propan-2-yl-3-(2H-tetrazol-5-yl)-10-(1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one
PubChem CID151450049
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name9-(3-methoxypropoxy)-6-propan-2-yl-3-(2H-tetrazol-5-yl)-10-(1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one
SMILESCOCCCOc1cc2c(cc1-c1nccs1)-c1cc(=O)c(-c3nn[nH]n3)cn1C(C(C)C)C2
InChIInChI=1S/C24H26N6O3S/c1-14(2)19-9-15-10-22(33-7-4-6-32-3)17(24-25-5-8-34-24)11-16(15)20-12-21(31)18(13-30(19)20)23-26-28-29-27-23/h5,8,10-14,19H,4,6-7,9H2,1-3H3,(H,26,27,28,29)
InChIKeyPGHQUFHVYVOXDL-UHFFFAOYSA-N
XLogP3.99
TPSA107.81 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-(3-methoxypropoxy)-6-propan-2-yl-3-(2H-tetrazol-5-yl)-10-(1,3-thiazol-2-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-(3-methoxypropoxy)-6-propan-2-yl-3-(2H-tetrazol-5-yl)-10-(1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one?
The IUPAC name of 9-(3-methoxypropoxy)-6-propan-2-yl-3-(2H-tetrazol-5-yl)-10-(1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one (CID 151450049) is 9-(3-methoxypropoxy)-6-propan-2-yl-3-(2H-tetrazol-5-yl)-10-(1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one.
What is the SMILES notation for 9-(3-methoxypropoxy)-6-propan-2-yl-3-(2H-tetrazol-5-yl)-10-(1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one?
The canonical SMILES for 9-(3-methoxypropoxy)-6-propan-2-yl-3-(2H-tetrazol-5-yl)-10-(1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one is COCCCOc1cc2c(cc1-c1nccs1)-c1cc(=O)c(-c3nn[nH]n3)cn1C(C(C)C)C2.
What is the InChIKey of 9-(3-methoxypropoxy)-6-propan-2-yl-3-(2H-tetrazol-5-yl)-10-(1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one?
The InChIKey is PGHQUFHVYVOXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-14(2)19-9-15-10-22(33-7-4-6-32-3)17(24-25-5-8-34-24)11-16(15)20-12-21(31)18(13-30(19)20)23-26-28-29-27-23/h5,8,10-14,19H,4,6-7,9H2,1-3H3,(H,26,27,28,29).
What are the key properties of 9-(3-methoxypropoxy)-6-propan-2-yl-3-(2H-tetrazol-5-yl)-10-(1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one?
9-(3-methoxypropoxy)-6-propan-2-yl-3-(2H-tetrazol-5-yl)-10-(1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one has a molecular weight of 478.58 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methoxypropoxy)-6-propan-2-yl-3-(2H-tetrazol-5-yl)-10-(1,3-thiazol-2-yl)-6,7-dihydrobenzo[a]quinolizin-2-one is sourced from PubChem (CID 151450049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).