2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

C16H18N2O2S — CID 62710458

IUPAC2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCC(Nc1nc2c(cc1C(=O)O)CCCC2)c1cccs1
InChIInChI=1S/C16H18N2O2S/c1-10(14-7-4-8-21-14)17-15-12(16(19)20)9-11-5-2-3-6-13(11)18-15/h4,7-10H,2-3,5-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyKISKXKOSHCHUGL-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.89
Rot. Bonds4

About 2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid

2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (PubChem CID 62710458) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
PubChem CID62710458
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
SMILESCC(Nc1nc2c(cc1C(=O)O)CCCC2)c1cccs1
InChIInChI=1S/C16H18N2O2S/c1-10(14-7-4-8-21-14)17-15-12(16(19)20)9-11-5-2-3-6-13(11)18-15/h4,7-10H,2-3,5-6H2,1H3,(H,17,18)(H,19,20)
InChIKeyKISKXKOSHCHUGL-UHFFFAOYSA-N
XLogP3.89
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid with MolForge

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Related Compounds

2-(1-thiophen-2-ylpropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62710326
2-(1-thiophen-3-ylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62845332
5-bromo-2-(1-thiophen-2-ylethylamino)pyridine-3-carboxylic acid
CID 62000750
2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 84684770
2-[(4-methylphenyl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 62709773
2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533417
2-(prop-2-enylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 55107933
2-[(2-methylpyrazol-3-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 63303905
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 107854792
2-methyl-3-(1-thiophen-2-ylethylamino)benzoic acid
CID 43737318
2-(2,2-dimethylbutylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 103464835
N-[(1S)-1-thiophen-2-ylethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 81408564

Frequently Asked Questions

What is the IUPAC name of 2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The IUPAC name of 2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid (CID 62710458) is 2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid.
What is the SMILES notation for 2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The canonical SMILES for 2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is CC(Nc1nc2c(cc1C(=O)O)CCCC2)c1cccs1.
What is the InChIKey of 2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
The InChIKey is KISKXKOSHCHUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-10(14-7-4-8-21-14)17-15-12(16(19)20)9-11-5-2-3-6-13(11)18-15/h4,7-10H,2-3,5-6H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid?
2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-thiophen-2-ylethylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid is sourced from PubChem (CID 62710458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).