7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide

C13H12F2N2O2 — CID 110490043

IUPAC7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide
SMILESCC(O)CNC(=O)c1cnc2c(F)c(F)ccc2c1
InChIInChI=1S/C13H12F2N2O2/c1-7(18)5-17-13(19)9-4-8-2-3-10(14)11(15)12(8)16-6-9/h2-4,6-7,18H,5H2,1H3,(H,17,19)
InChIKeyMZMQKDRUBVDRJF-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.62
Rot. Bonds3

About 7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide

7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide (PubChem CID 110490043) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide
PubChem CID110490043
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide
SMILESCC(O)CNC(=O)c1cnc2c(F)c(F)ccc2c1
InChIInChI=1S/C13H12F2N2O2/c1-7(18)5-17-13(19)9-4-8-2-3-10(14)11(15)12(8)16-6-9/h2-4,6-7,18H,5H2,1H3,(H,17,19)
InChIKeyMZMQKDRUBVDRJF-UHFFFAOYSA-N
XLogP1.62
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-7,8-difluoroquinoline-3-carboxamide
CID 110490033
7,8-difluoro-N-methylquinoline-3-carboxamide
CID 110490026
7,8-difluoro-N-prop-2-enylquinoline-3-carboxamide
CID 110490035
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450
N-[(2S)-2,4-dimethyl-1-phenylpentan-2-yl]-7,8-difluoroquinoline-3-carboxamide
CID 130421223
N-butyl-7,8-difluoro-N-methylquinoline-3-carboxamide
CID 110490062
N-[(2R)-2-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 83031410
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303
8-methoxy-N-(2-methylpropyl)quinoline-3-carboxamide
CID 110489872
4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
6-bromo-N-[(2R)-2-hydroxypropyl]naphthalene-2-carboxamide
CID 83030177
N-[(2S,3S,5R)-5-(ethylcarbamoyl)-3,8-dihydroxy-8-methyl-1-phenylnonan-2-yl]-7,8-difluoroquinoline-3-carboxamide
CID 57192037

Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide?
The IUPAC name of 7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide (CID 110490043) is 7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide.
What is the SMILES notation for 7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide?
The canonical SMILES for 7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide is CC(O)CNC(=O)c1cnc2c(F)c(F)ccc2c1.
What is the InChIKey of 7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide?
The InChIKey is MZMQKDRUBVDRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c1-7(18)5-17-13(19)9-4-8-2-3-10(14)11(15)12(8)16-6-9/h2-4,6-7,18H,5H2,1H3,(H,17,19).
What are the key properties of 7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide?
7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-N-(2-hydroxypropyl)quinoline-3-carboxamide is sourced from PubChem (CID 110490043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).