3-(3-hydroxypropyl)quinoline-2-carboxamide

C13H14N2O2 — CID 173116844

IUPAC3-(3-hydroxypropyl)quinoline-2-carboxamide
SMILESNC(=O)c1nc2ccccc2cc1CCCO
InChIInChI=1S/C13H14N2O2/c14-13(17)12-10(5-3-7-16)8-9-4-1-2-6-11(9)15-12/h1-2,4,6,8,16H,3,5,7H2,(H2,14,17)
InChIKeyDBRJZQJOPMDAGD-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.26
Rot. Bonds4

About 3-(3-hydroxypropyl)quinoline-2-carboxamide

3-(3-hydroxypropyl)quinoline-2-carboxamide (PubChem CID 173116844) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name3-(3-hydroxypropyl)quinoline-2-carboxamide
PubChem CID173116844
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(3-hydroxypropyl)quinoline-2-carboxamide
SMILESNC(=O)c1nc2ccccc2cc1CCCO
InChIInChI=1S/C13H14N2O2/c14-13(17)12-10(5-3-7-16)8-9-4-1-2-6-11(9)15-12/h1-2,4,6,8,16H,3,5,7H2,(H2,14,17)
InChIKeyDBRJZQJOPMDAGD-UHFFFAOYSA-N
XLogP1.26
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)quinoline-2-carboxamide?
The IUPAC name of 3-(3-hydroxypropyl)quinoline-2-carboxamide (CID 173116844) is 3-(3-hydroxypropyl)quinoline-2-carboxamide.
What is the SMILES notation for 3-(3-hydroxypropyl)quinoline-2-carboxamide?
The canonical SMILES for 3-(3-hydroxypropyl)quinoline-2-carboxamide is NC(=O)c1nc2ccccc2cc1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)quinoline-2-carboxamide?
The InChIKey is DBRJZQJOPMDAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-13(17)12-10(5-3-7-16)8-9-4-1-2-6-11(9)15-12/h1-2,4,6,8,16H,3,5,7H2,(H2,14,17).
What are the key properties of 3-(3-hydroxypropyl)quinoline-2-carboxamide?
3-(3-hydroxypropyl)quinoline-2-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)quinoline-2-carboxamide is sourced from PubChem (CID 173116844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).