3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide

C24H23FN2O2S — CID 50776760

IUPAC3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCCc1ccc(-c2c(C(=O)NCCCOC)sc3c2cnc2ccc(F)cc23)cc1
InChIInChI=1S/C24H23FN2O2S/c1-3-15-5-7-16(8-6-15)21-19-14-27-20-10-9-17(25)13-18(20)22(19)30-23(21)24(28)26-11-4-12-29-2/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,26,28)
InChIKeyLVBLCLWOTJGAFD-UHFFFAOYSA-N
MW422.53 g/mol
LogP5.58
Rot. Bonds7

About 3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide

3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 50776760) has the molecular formula C24H23FN2O2S and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID50776760
Molecular FormulaC24H23FN2O2S
Molecular Weight422.53 g/mol
Exact Mass422.15
IUPAC Name3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCCc1ccc(-c2c(C(=O)NCCCOC)sc3c2cnc2ccc(F)cc23)cc1
InChIInChI=1S/C24H23FN2O2S/c1-3-15-5-7-16(8-6-15)21-19-14-27-20-10-9-17(25)13-18(20)22(19)30-23(21)24(28)26-11-4-12-29-2/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,26,28)
InChIKeyLVBLCLWOTJGAFD-UHFFFAOYSA-N
XLogP5.58
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.53
LogP ≤ 55.58
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

8-ethyl-3-(4-fluorophenyl)-N-(2-methoxyethyl)thieno[3,2-c]quinoline-2-carboxamide
CID 50776755
8-methoxy-N-(2-methoxyethyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 27375633
8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 94073785
8-methyl-3-phenyl-N-(3-propan-2-yloxypropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 50776625
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-methoxy-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776637
8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776788
8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776734
8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776758
methyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate
CID 97032780
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206237

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide (CID 50776760) is 3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide is CCc1ccc(-c2c(C(=O)NCCCOC)sc3c2cnc2ccc(F)cc23)cc1.
What is the InChIKey of 3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is LVBLCLWOTJGAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2S/c1-3-15-5-7-16(8-6-15)21-19-14-27-20-10-9-17(25)13-18(20)22(19)30-23(21)24(28)26-11-4-12-29-2/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,26,28).
What are the key properties of 3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide?
3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 5.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 50776760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).