N-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide

C32H30N2O4S — CID 57320423

IUPACN-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide
SMILESCOCCN(CC1CC1)C(=O)c1cn2c(=O)c(-c3ccc(OCc4ccccc4)cc3)ccc2c2sccc12
InChIInChI=1S/C32H30N2O4S/c1-37-17-16-33(19-22-7-8-22)31(35)28-20-34-29(30-27(28)15-18-39-30)14-13-26(32(34)36)24-9-11-25(12-10-24)38-21-23-5-3-2-4-6-23/h2-6,9-15,18,20,22H,7-8,16-17,19,21H2,1H3
InChIKeyJCBAMXYXNXNBGG-UHFFFAOYSA-N
MW538.67 g/mol
LogP6.26
Rot. Bonds10

About N-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide

N-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide (PubChem CID 57320423) has the molecular formula C32H30N2O4S and a molecular weight of 538.67 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide
PubChem CID57320423
Molecular FormulaC32H30N2O4S
Molecular Weight538.67 g/mol
Exact Mass538.19
IUPAC NameN-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide
SMILESCOCCN(CC1CC1)C(=O)c1cn2c(=O)c(-c3ccc(OCc4ccccc4)cc3)ccc2c2sccc12
InChIInChI=1S/C32H30N2O4S/c1-37-17-16-33(19-22-7-8-22)31(35)28-20-34-29(30-27(28)15-18-39-30)14-13-26(32(34)36)24-9-11-25(12-10-24)38-21-23-5-3-2-4-6-23/h2-6,9-15,18,20,22H,7-8,16-17,19,21H2,1H3
InChIKeyJCBAMXYXNXNBGG-UHFFFAOYSA-N
XLogP6.26
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.67
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide (CID 57320423) is N-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide is COCCN(CC1CC1)C(=O)c1cn2c(=O)c(-c3ccc(OCc4ccccc4)cc3)ccc2c2sccc12.
What is the InChIKey of N-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide?
The InChIKey is JCBAMXYXNXNBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N2O4S/c1-37-17-16-33(19-22-7-8-22)31(35)28-20-34-29(30-27(28)15-18-39-30)14-13-26(32(34)36)24-9-11-25(12-10-24)38-21-23-5-3-2-4-6-23/h2-6,9-15,18,20,22H,7-8,16-17,19,21H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide?
N-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide has a molecular weight of 538.67 g/mol, XLogP of 6.26, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-(2-methoxyethyl)-7-oxo-8-(4-phenylmethoxyphenyl)thieno[2,3-a]quinolizine-4-carboxamide is sourced from PubChem (CID 57320423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).