4-(3-hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid

C15H14N2O3S — CID 50941855

IUPAC4-(3-hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(NCCCO)c1ccsc12
InChIInChI=1S/C15H14N2O3S/c18-6-1-5-16-14-11-4-7-21-13(11)10-3-2-9(15(19)20)8-12(10)17-14/h2-4,7-8,18H,1,5-6H2,(H,16,17)(H,19,20)
InChIKeyWNDNHVKGAOSTKP-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.94
Rot. Bonds5

About 4-(3-hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid

4-(3-hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid (PubChem CID 50941855) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 4-(3-hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid
PubChem CID50941855
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name4-(3-hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc(NCCCO)c1ccsc12
InChIInChI=1S/C15H14N2O3S/c18-6-1-5-16-14-11-4-7-21-13(11)10-3-2-9(15(19)20)8-12(10)17-14/h2-4,7-8,18H,1,5-6H2,(H,16,17)(H,19,20)
InChIKeyWNDNHVKGAOSTKP-UHFFFAOYSA-N
XLogP2.94
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-Chloroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941959
4-Anilinothieno[3,2-c]pyridine-6-carboxylic acid
CID 53317960
4-[3-(Methylcarbamoyl)anilino]thieno[3,2-c]pyridine-6-carboxylic acid
CID 53317962
4-(2-Methylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53320599
4-(3-Fluoroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53323250
4-(3-Ethynylanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53323251
4-(2-Phenylethylamino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53325334
4-(4-Fluoroanilino)thieno[3,2-c]pyridine-6-carboxylic acid
CID 53325886
4-[2-(Dimethylamino)ethylamino]thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941858
4-(Phenylamino)thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941860
4-(2-Phenylethylamino)thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941863
4-(4-Fluoroanilino)thieno[3,2-c]quinoline-7-carboxylic acid
CID 50941956

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid?
The IUPAC name of 4-(3-hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid (CID 50941855) is 4-(3-hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid?
The canonical SMILES for 4-(3-hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid is O=C(O)c1ccc2c(c1)nc(NCCCO)c1ccsc12.
What is the InChIKey of 4-(3-hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid?
The InChIKey is WNDNHVKGAOSTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-6-1-5-16-14-11-4-7-21-13(11)10-3-2-9(15(19)20)8-12(10)17-14/h2-4,7-8,18H,1,5-6H2,(H,16,17)(H,19,20).
What are the key properties of 4-(3-hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid?
4-(3-hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid has a molecular weight of 302.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropylamino)thieno[3,2-c]quinoline-7-carboxylic acid is sourced from PubChem (CID 50941855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).