1,2,5,6-tetrahydroquinoline-3-carboxamide

C10H12N2O — CID 121273317

IUPAC1,2,5,6-tetrahydroquinoline-3-carboxamide
SMILESNC(=O)C1=CC2=C(C=CCC2)NC1
InChIInChI=1S/C10H12N2O/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h2,4-5,12H,1,3,6H2,(H2,11,13)
InChIKeyVKLXWFYWGQJDMK-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.61
Rot. Bonds1

About 1,2,5,6-tetrahydroquinoline-3-carboxamide

1,2,5,6-tetrahydroquinoline-3-carboxamide (PubChem CID 121273317) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1,2,5,6-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name1,2,5,6-tetrahydroquinoline-3-carboxamide
PubChem CID121273317
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1,2,5,6-tetrahydroquinoline-3-carboxamide
SMILESNC(=O)C1=CC2=C(C=CCC2)NC1
InChIInChI=1S/C10H12N2O/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h2,4-5,12H,1,3,6H2,(H2,11,13)
InChIKeyVKLXWFYWGQJDMK-UHFFFAOYSA-N
XLogP0.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,6-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 1,2,5,6-tetrahydroquinoline-3-carboxamide (CID 121273317) is 1,2,5,6-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 1,2,5,6-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 1,2,5,6-tetrahydroquinoline-3-carboxamide is NC(=O)C1=CC2=C(C=CCC2)NC1.
What is the InChIKey of 1,2,5,6-tetrahydroquinoline-3-carboxamide?
The InChIKey is VKLXWFYWGQJDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h2,4-5,12H,1,3,6H2,(H2,11,13).
What are the key properties of 1,2,5,6-tetrahydroquinoline-3-carboxamide?
1,2,5,6-tetrahydroquinoline-3-carboxamide has a molecular weight of 176.22 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,6-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 121273317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).