N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide

C19H20N2O3 — CID 111478851

IUPACN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)c2ccnc3ccccc23)c(C)o1
InChIInChI=1S/C19H20N2O3/c1-12-10-16(13(2)24-12)19(3,23)11-21-18(22)15-8-9-20-17-7-5-4-6-14(15)17/h4-10,23H,11H2,1-3H3,(H,21,22)
InChIKeyAQGGXWUFIDHMON-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.08
Rot. Bonds4

About N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide

N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide (PubChem CID 111478851) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide
PubChem CID111478851
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC NameN-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide
SMILESCc1cc(C(C)(O)CNC(=O)c2ccnc3ccccc23)c(C)o1
InChIInChI=1S/C19H20N2O3/c1-12-10-16(13(2)24-12)19(3,23)11-21-18(22)15-8-9-20-17-7-5-4-6-14(15)17/h4-10,23H,11H2,1-3H3,(H,21,22)
InChIKeyAQGGXWUFIDHMON-UHFFFAOYSA-N
XLogP3.08
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2-thiophen-2-ylpropyl)quinoline-4-carboxamide
CID 111442055
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoropyridine-4-carboxamide
CID 111479066
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-(methoxymethyl)benzamide
CID 111479126
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylindole-4-carboxamide
CID 111479014
2,5-dichloro-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]benzamide
CID 111479091
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
CID 111479170
2-(1,2-benzoxazol-3-yl)-N-[(2R)-2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 96567175
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-5-fluoro-2-hydroxybenzamide
CID 111860663
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1H-indole-7-carboxamide
CID 111478785
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
(2R)-N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-hydroxy-2-phenylacetamide
CID 122132789
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-hydroxybenzamide
CID 110025605

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide (CID 111478851) is N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide is Cc1cc(C(C)(O)CNC(=O)c2ccnc3ccccc23)c(C)o1.
What is the InChIKey of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide?
The InChIKey is AQGGXWUFIDHMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12-10-16(13(2)24-12)19(3,23)11-21-18(22)15-8-9-20-17-7-5-4-6-14(15)17/h4-10,23H,11H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide?
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]quinoline-4-carboxamide is sourced from PubChem (CID 111478851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).