3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide

C21H17ClN2O2S — CID 50776757

IUPAC3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCC(O)CNC(=O)c1sc2c(cnc3ccccc32)c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN2O2S/c1-12(25)10-24-21(26)20-18(13-6-8-14(22)9-7-13)16-11-23-17-5-3-2-4-15(17)19(16)27-20/h2-9,11-12,25H,10H2,1H3,(H,24,26)
InChIKeyGMKYJBAIVZDTSZ-UHFFFAOYSA-N
MW396.90 g/mol
LogP4.88
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide

3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 50776757) has the molecular formula C21H17ClN2O2S and a molecular weight of 396.90 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID50776757
Molecular FormulaC21H17ClN2O2S
Molecular Weight396.90 g/mol
Exact Mass396.07
IUPAC Name3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCC(O)CNC(=O)c1sc2c(cnc3ccccc32)c1-c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN2O2S/c1-12(25)10-24-21(26)20-18(13-6-8-14(22)9-7-13)16-11-23-17-5-3-2-4-15(17)19(16)27-20/h2-9,11-12,25H,10H2,1H3,(H,24,26)
InChIKeyGMKYJBAIVZDTSZ-UHFFFAOYSA-N
XLogP4.88
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-chloro-N-(2-hydroxypropyl)-3-(4-methylphenyl)thieno[3,2-c]quinoline-2-carboxamide
CID 50776630
8-fluoro-N-[(2R)-2-hydroxypropyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 94073785
8-chloro-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776734
methyl 3-(4-ethoxyphenyl)thieno[3,2-c]quinoline-2-carboxylate
CID 97032780
8-methyl-N-(3-methylbutyl)-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776788
8-chloro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776758
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
3-(4-ethylphenyl)-8-fluoro-N-(3-methoxypropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 50776760
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
N-[(2S)-2-hydroxypropyl]-1-benzothiophene-3-carboxamide
CID 83030979
6-fluoro-N-[3-(furan-2-yl)propyl]-3-phenylthieno[3,2-c]quinoline-2-carboxamide
CID 50776716

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide (CID 50776757) is 3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide is CC(O)CNC(=O)c1sc2c(cnc3ccccc32)c1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is GMKYJBAIVZDTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2S/c1-12(25)10-24-21(26)20-18(13-6-8-14(22)9-7-13)16-11-23-17-5-3-2-4-15(17)19(16)27-20/h2-9,11-12,25H,10H2,1H3,(H,24,26).
What are the key properties of 3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide?
3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 396.90 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(2-hydroxypropyl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 50776757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).