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'}

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Related Compounds

6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776716
3-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)propyl]thieno[3,2-c]quinoline-2-carboxamide
CID 50776681
8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776734
8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 27375633
8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 50776625
8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide
CID 50776630
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776637
8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 94073785
3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 50776757
2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56711673
N-[3-(furan-2-yl)propyl]quinoxaline-6-carboxamide
CID 74240216
3-ethoxy-N-[2-(furan-2-yl)ethyl]-5-phenylthiophene-2-carboxamide
CID 55792612

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).