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

C26H22N2O3S — CID 27375648

IUPACN-[3-(furan-2-yl)propyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCCc4ccco4)sc3c2c1
InChIInChI=1S/C26H22N2O3S/c1-30-19-11-12-22-20(15-19)24-21(16-28-22)23(17-7-3-2-4-8-17)25(32-24)26(29)27-13-5-9-18-10-6-14-31-18/h2-4,6-8,10-12,14-16H,5,9,13H2,1H3,(H,27,29)
InChIKeyZKCLIWYKOJUPBO-UHFFFAOYSA-N
MW442.54 g/mol
LogP6.08
Rot. Bonds7

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

N-[3-(furan-2-yl)propyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 27375648) has the molecular formula C26H22N2O3S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-[3-(furan-2-yl)propyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)propyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID27375648
Molecular FormulaC26H22N2O3S
Molecular Weight442.54 g/mol
Exact Mass442.14
IUPAC NameN-[3-(furan-2-yl)propyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESCOc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCCc4ccco4)sc3c2c1
InChIInChI=1S/C26H22N2O3S/c1-30-19-11-12-22-20(15-19)24-21(16-28-22)23(17-7-3-2-4-8-17)25(32-24)26(29)27-13-5-9-18-10-6-14-31-18/h2-4,6-8,10-12,14-16H,5,9,13H2,1H3,(H,27,29)
InChIKeyZKCLIWYKOJUPBO-UHFFFAOYSA-N
XLogP6.08
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.54
LogP ≤ 56.08
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 N-[3-(furan-2-yl)propyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-[3-(furan-2-yl)propyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide (CID 27375648) is N-[3-(furan-2-yl)propyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-[3-(furan-2-yl)propyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-[3-(furan-2-yl)propyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide is COc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCCc4ccco4)sc3c2c1.
What is the InChIKey of N-[3-(furan-2-yl)propyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is ZKCLIWYKOJUPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3S/c1-30-19-11-12-22-20(15-19)24-21(16-28-22)23(17-7-3-2-4-8-17)25(32-24)26(29)27-13-5-9-18-10-6-14-31-18/h2-4,6-8,10-12,14-16H,5,9,13H2,1H3,(H,27,29).
What are the key properties of N-[3-(furan-2-yl)propyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
N-[3-(furan-2-yl)propyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)propyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 27375648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).