N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide

C22H20N2O3S — CID 14666711

IUPACN-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccccc2)c(=O)n2ccc3ccsc3c12
InChIInChI=1S/C22H20N2O3S/c1-27-12-5-10-23-21(25)18-14-17(15-6-3-2-4-7-15)22(26)24-11-8-16-9-13-28-20(16)19(18)24/h2-4,6-9,11,13-14H,5,10,12H2,1H3,(H,23,25)
InChIKeyPRPTXKLEVRUXIG-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.95
Rot. Bonds6

About N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide

N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide (PubChem CID 14666711) has the molecular formula C22H20N2O3S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide
PubChem CID14666711
Molecular FormulaC22H20N2O3S
Molecular Weight392.48 g/mol
Exact Mass392.12
IUPAC NameN-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide
SMILESCOCCCNC(=O)c1cc(-c2ccccc2)c(=O)n2ccc3ccsc3c12
InChIInChI=1S/C22H20N2O3S/c1-27-12-5-10-23-21(25)18-14-17(15-6-3-2-4-7-15)22(26)24-11-8-16-9-13-28-20(16)19(18)24/h2-4,6-9,11,13-14H,5,10,12H2,1H3,(H,23,25)
InChIKeyPRPTXKLEVRUXIG-UHFFFAOYSA-N
XLogP3.95
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-10-oxo-11-phenyl-3-thia-8,9-diazatricyclo[7.4.0.02,6]trideca-1(13),2(6),4,7,11-pentaene-13-carboxamide
CID 19898584
8-(4-tert-butylphenyl)-N-(2-methoxyethyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide
CID 56608124
methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate
CID 19353618
N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide
CID 56639286
8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid
CID 19353655
4-[di(propan-2-yl)amino]but-2-ynyl 7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxylate
CID 19353666
2-morpholin-4-ylethyl 7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxylate
CID 19353672
N-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide
CID 56636249
N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide
CID 56612145
2-benzoyl-N-(3-methoxypropyl)benzamide
CID 11841231
5-(azepan-1-yl)-N-(3-methoxypropyl)-4-phenylthiophene-2-carboxamide
CID 20940483
4-methoxy-N-(4-methoxybutyl)-3-phenylbenzamide
CID 49326379

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide (CID 14666711) is N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide is COCCCNC(=O)c1cc(-c2ccccc2)c(=O)n2ccc3ccsc3c12.
What is the InChIKey of N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide?
The InChIKey is PRPTXKLEVRUXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3S/c1-27-12-5-10-23-21(25)18-14-17(15-6-3-2-4-7-15)22(26)24-11-8-16-9-13-28-20(16)19(18)24/h2-4,6-9,11,13-14H,5,10,12H2,1H3,(H,23,25).
What are the key properties of N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide?
N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide is sourced from PubChem (CID 14666711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).