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

C25H19ClN2O2S — CID 50776758

IUPAC8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(NCCCc1ccco1)c1sc2c(cnc3ccc(Cl)cc32)c1-c1ccccc1
InChIInChI=1S/C25H19ClN2O2S/c26-17-10-11-21-19(14-17)23-20(15-28-21)22(16-6-2-1-3-7-16)24(31-23)25(29)27-12-4-8-18-9-5-13-30-18/h1-3,5-7,9-11,13-15H,4,8,12H2,(H,27,29)
InChIKeyUBVCPZYXNUVMPX-UHFFFAOYSA-N
MW446.96 g/mol
LogP6.73
Rot. Bonds6

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

8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide (PubChem CID 50776758) has the molecular formula C25H19ClN2O2S and a molecular weight of 446.96 g/mol. Its IUPAC name is 8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
PubChem CID50776758
Molecular FormulaC25H19ClN2O2S
Molecular Weight446.96 g/mol
Exact Mass446.09
IUPAC Name8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
SMILESO=C(NCCCc1ccco1)c1sc2c(cnc3ccc(Cl)cc32)c1-c1ccccc1
InChIInChI=1S/C25H19ClN2O2S/c26-17-10-11-21-19(14-17)23-20(15-28-21)22(16-6-2-1-3-7-16)24(31-23)25(29)27-12-4-8-18-9-5-13-30-18/h1-3,5-7,9-11,13-15H,4,8,12H2,(H,27,29)
InChIKeyUBVCPZYXNUVMPX-UHFFFAOYSA-N
XLogP6.73
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.96
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide (CID 50776758) is 8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide is O=C(NCCCc1ccco1)c1sc2c(cnc3ccc(Cl)cc32)c1-c1ccccc1.
What is the InChIKey of 8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is UBVCPZYXNUVMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN2O2S/c26-17-10-11-21-19(14-17)23-20(15-28-21)22(16-6-2-1-3-7-16)24(31-23)25(29)27-12-4-8-18-9-5-13-30-18/h1-3,5-7,9-11,13-15H,4,8,12H2,(H,27,29).
What are the key properties of 8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide?
8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 446.96 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 50776758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).