N-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide

C29H26N2O4S — CID 56636249

IUPACN-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2OC)c(=O)n2ccc3ccsc3c12
InChIInChI=1S/C29H26N2O4S/c1-34-16-15-30(19-20-8-4-3-5-9-20)28(32)24-18-23(22-10-6-7-11-25(22)35-2)29(33)31-14-12-21-13-17-36-27(21)26(24)31/h3-14,17-18H,15-16,19H2,1-2H3
InChIKeyVNFDIPXZGJWGCU-UHFFFAOYSA-N
MW498.60 g/mol
LogP5.48
Rot. Bonds8

About N-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide

N-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide (PubChem CID 56636249) has the molecular formula C29H26N2O4S and a molecular weight of 498.60 g/mol. Its IUPAC name is N-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide
PubChem CID56636249
Molecular FormulaC29H26N2O4S
Molecular Weight498.60 g/mol
Exact Mass498.16
IUPAC NameN-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide
SMILESCOCCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2OC)c(=O)n2ccc3ccsc3c12
InChIInChI=1S/C29H26N2O4S/c1-34-16-15-30(19-20-8-4-3-5-9-20)28(32)24-18-23(22-10-6-7-11-25(22)35-2)29(33)31-14-12-21-13-17-36-27(21)26(24)31/h3-14,17-18H,15-16,19H2,1-2H3
InChIKeyVNFDIPXZGJWGCU-UHFFFAOYSA-N
XLogP5.48
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.60
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-N-(2-methoxyethyl)-7-oxo-8-(4-phenoxyphenyl)thieno[2,3-a]quinolizine-10-carboxamide
CID 56639286
N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide
CID 56631879
N-(2-methoxyethyl)-8-(3-methoxyphenyl)-7-oxo-N-(thiophen-2-ylmethyl)thieno[2,3-a]quinolizine-10-carboxamide
CID 56612145
N-(3-methoxypropyl)-7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxamide
CID 14666711
methyl 7-oxo-8-(4-phenylphenyl)thieno[2,3-a]quinolizine-10-carboxylate
CID 19353618
8-(4-methylphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxylic acid
CID 19353655
N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide
CID 134028335
4-[di(propan-2-yl)amino]but-2-ynyl 7-oxo-8-phenylthieno[2,3-a]quinolizine-10-carboxylate
CID 19353666
2-methoxy-N,N-bis(2-methoxyethyl)benzamide
CID 51072625
N-benzyl-N-(2-methoxyethyl)-1-phenyl-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide
CID 35145720
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-2-methoxy-N-(3-methoxypropyl)benzamide
CID 42777574
N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide
CID 104859465

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide?
The IUPAC name of N-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide (CID 56636249) is N-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide.
What is the SMILES notation for N-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide?
The canonical SMILES for N-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide is COCCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2OC)c(=O)n2ccc3ccsc3c12.
What is the InChIKey of N-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide?
The InChIKey is VNFDIPXZGJWGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O4S/c1-34-16-15-30(19-20-8-4-3-5-9-20)28(32)24-18-23(22-10-6-7-11-25(22)35-2)29(33)31-14-12-21-13-17-36-27(21)26(24)31/h3-14,17-18H,15-16,19H2,1-2H3.
What are the key properties of N-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide?
N-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide has a molecular weight of 498.60 g/mol, XLogP of 5.48, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2-methoxyethyl)-8-(2-methoxyphenyl)-7-oxothieno[2,3-a]quinolizine-10-carboxamide is sourced from PubChem (CID 56636249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).