4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid

C15H12N2O2S — CID 61340797

IUPAC4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1NCc1cccs1
InChIInChI=1S/C15H12N2O2S/c18-15(19)12-9-16-13-6-2-1-5-11(13)14(12)17-8-10-4-3-7-20-10/h1-7,9H,8H2,(H,16,17)(H,18,19)
InChIKeyHMVXHNFHCDZIOZ-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.61
Rot. Bonds4

About 4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid

4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid (PubChem CID 61340797) has the molecular formula C15H12N2O2S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid.

Molecular Properties

Compound Name4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid
PubChem CID61340797
Molecular FormulaC15H12N2O2S
Molecular Weight284.34 g/mol
Exact Mass284.06
IUPAC Name4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid
SMILESO=C(O)c1cnc2ccccc2c1NCc1cccs1
InChIInChI=1S/C15H12N2O2S/c18-15(19)12-9-16-13-6-2-1-5-11(13)14(12)17-8-10-4-3-7-20-10/h1-7,9H,8H2,(H,16,17)(H,18,19)
InChIKeyHMVXHNFHCDZIOZ-UHFFFAOYSA-N
XLogP3.61
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

bis[4-(benzylamino)quinolin-3-yl]methanone
CID 154508571
4-(2-chloroprop-2-enylamino)quinoline-3-carboxylic acid
CID 113464690
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793
4-(6-hydroxyhexylamino)quinoline-3-carboxylic acid
CID 107853405
4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid
CID 66006604
4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]quinoline-3-carboxylic acid
CID 106400814
7-(benzylamino)thieno[3,2-b]pyridine-6-carboxylic acid
CID 152718891
4-(oxolan-2-ylmethylamino)quinoline-3-carboxylic acid
CID 61339890
N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 4286982
4-[3-(cyclopropylamino)propylamino]quinoline-3-carboxylic acid
CID 61404666
4-(4-carboxyanilino)quinoline-3-carboxylic acid
CID 7719142
4-(4-chloroanilino)quinoline-3-carboxylic acid
CID 63537972

Frequently Asked Questions

What is the IUPAC name of 4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid?
The IUPAC name of 4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid (CID 61340797) is 4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid.
What is the SMILES notation for 4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid?
The canonical SMILES for 4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid is O=C(O)c1cnc2ccccc2c1NCc1cccs1.
What is the InChIKey of 4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid?
The InChIKey is HMVXHNFHCDZIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2S/c18-15(19)12-9-16-13-6-2-1-5-11(13)14(12)17-8-10-4-3-7-20-10/h1-7,9H,8H2,(H,16,17)(H,18,19).
What are the key properties of 4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid?
4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid has a molecular weight of 284.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiophen-2-ylmethylamino)quinoline-3-carboxylic acid is sourced from PubChem (CID 61340797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).