3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide

C14H15N3O3 — CID 118171708

IUPAC3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide
SMILESNC(=O)c1nc2ccccc2c(C(N)=O)c1CCCO
InChIInChI=1S/C14H15N3O3/c15-13(19)11-8-4-1-2-6-10(8)17-12(14(16)20)9(11)5-3-7-18/h1-2,4,6,18H,3,5,7H2,(H2,15,19)(H2,16,20)
InChIKeyZADWGBIBCGPELD-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.36
Rot. Bonds5

About 3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide

3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide (PubChem CID 118171708) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide.

Molecular Properties

Compound Name3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide
PubChem CID118171708
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide
SMILESNC(=O)c1nc2ccccc2c(C(N)=O)c1CCCO
InChIInChI=1S/C14H15N3O3/c15-13(19)11-8-4-1-2-6-10(8)17-12(14(16)20)9(11)5-3-7-18/h1-2,4,6,18H,3,5,7H2,(H2,15,19)(H2,16,20)
InChIKeyZADWGBIBCGPELD-UHFFFAOYSA-N
XLogP0.36
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide?
The IUPAC name of 3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide (CID 118171708) is 3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide.
What is the SMILES notation for 3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide?
The canonical SMILES for 3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide is NC(=O)c1nc2ccccc2c(C(N)=O)c1CCCO.
What is the InChIKey of 3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide?
The InChIKey is ZADWGBIBCGPELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c15-13(19)11-8-4-1-2-6-10(8)17-12(14(16)20)9(11)5-3-7-18/h1-2,4,6,18H,3,5,7H2,(H2,15,19)(H2,16,20).
What are the key properties of 3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide?
3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide has a molecular weight of 273.29 g/mol, XLogP of 0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxypropyl)quinoline-2,4-dicarboxamide is sourced from PubChem (CID 118171708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).