8-methoxy-N-(2-morpholin-4-ylethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide

C25H25N3O3S — CID 27375640

IUPAC8-methoxy-N-(2-morpholin-4-ylethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCN4CCOCC4)sc3c2c1
InChIInChI=1S/C25H25N3O3S/c1-30-18-7-8-21-19(15-18)23-20(16-27-21)22(17-5-3-2-4-6-17)24(32-23)25(29)26-9-10-28-11-13-31-14-12-28/h2-8,15-16H,9-14H2,1H3,(H,26,29)
InChIKeyPFAQCOORZBSLFE-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.19
Rot. Bonds6

About 8-methoxy-N-(2-morpholin-4-ylethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide

8-methoxy-N-(2-morpholin-4-ylethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 27375640) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is 8-methoxy-N-(2-morpholin-4-ylethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(2-morpholin-4-ylethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID27375640
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC Name8-methoxy-N-(2-morpholin-4-ylethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCN4CCOCC4)sc3c2c1
InChIInChI=1S/C25H25N3O3S/c1-30-18-7-8-21-19(15-18)23-20(16-27-21)22(17-5-3-2-4-6-17)24(32-23)25(29)26-9-10-28-11-13-31-14-12-28/h2-8,15-16H,9-14H2,1H3,(H,26,29)
InChIKeyPFAQCOORZBSLFE-UHFFFAOYSA-N
XLogP4.19
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-(2-morpholin-4-ylethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 8-methoxy-N-(2-morpholin-4-ylethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide (CID 27375640) is 8-methoxy-N-(2-morpholin-4-ylethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 8-methoxy-N-(2-morpholin-4-ylethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 8-methoxy-N-(2-morpholin-4-ylethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide is COc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCN4CCOCC4)sc3c2c1.
What is the InChIKey of 8-methoxy-N-(2-morpholin-4-ylethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is PFAQCOORZBSLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-30-18-7-8-21-19(15-18)23-20(16-27-21)22(17-5-3-2-4-6-17)24(32-23)25(29)26-9-10-28-11-13-31-14-12-28/h2-8,15-16H,9-14H2,1H3,(H,26,29).
What are the key properties of 8-methoxy-N-(2-morpholin-4-ylethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
8-methoxy-N-(2-morpholin-4-ylethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(2-morpholin-4-ylethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 27375640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).