8-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide

C26H25N3O3S — CID 27375628

IUPAC8-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCCN4CCCC4=O)sc3c2c1
InChIInChI=1S/C26H25N3O3S/c1-32-18-10-11-21-19(15-18)24-20(16-28-21)23(17-7-3-2-4-8-17)25(33-24)26(31)27-12-6-14-29-13-5-9-22(29)30/h2-4,7-8,10-11,15-16H,5-6,9,12-14H2,1H3,(H,27,31)
InChIKeyLUFJHCDAZGMTIZ-UHFFFAOYSA-N
MW459.57 g/mol
LogP4.87
Rot. Bonds7

About 8-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide

8-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 27375628) has the molecular formula C26H25N3O3S and a molecular weight of 459.57 g/mol. Its IUPAC name is 8-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID27375628
Molecular FormulaC26H25N3O3S
Molecular Weight459.57 g/mol
Exact Mass459.16
IUPAC Name8-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCCN4CCCC4=O)sc3c2c1
InChIInChI=1S/C26H25N3O3S/c1-32-18-10-11-21-19(15-18)24-20(16-28-21)23(17-7-3-2-4-8-17)25(33-24)26(31)27-12-6-14-29-13-5-9-22(29)30/h2-4,7-8,10-11,15-16H,5-6,9,12-14H2,1H3,(H,27,31)
InChIKeyLUFJHCDAZGMTIZ-UHFFFAOYSA-N
XLogP4.87
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.57
LogP ≤ 54.87
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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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 8-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide (CID 27375628) is 8-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 8-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 8-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide is COc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCCN4CCCC4=O)sc3c2c1.
What is the InChIKey of 8-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is LUFJHCDAZGMTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3S/c1-32-18-10-11-21-19(15-18)24-20(16-28-21)23(17-7-3-2-4-8-17)25(33-24)26(31)27-12-6-14-29-13-5-9-22(29)30/h2-4,7-8,10-11,15-16H,5-6,9,12-14H2,1H3,(H,27,31).
What are the key properties of 8-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
8-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 459.57 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 27375628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).