7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide

C14H15FN2O2 — CID 110485367

IUPAC7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide
SMILESCCC(CO)NC(=O)c1ccc2ccc(F)cc2n1
InChIInChI=1S/C14H15FN2O2/c1-2-11(8-18)16-14(19)12-6-4-9-3-5-10(15)7-13(9)17-12/h3-7,11,18H,2,8H2,1H3,(H,16,19)
InChIKeyACCKRCCXNSXETL-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.87
Rot. Bonds4

About 7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide

7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide (PubChem CID 110485367) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide
PubChem CID110485367
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide
SMILESCCC(CO)NC(=O)c1ccc2ccc(F)cc2n1
InChIInChI=1S/C14H15FN2O2/c1-2-11(8-18)16-14(19)12-6-4-9-3-5-10(15)7-13(9)17-12/h3-7,11,18H,2,8H2,1H3,(H,16,19)
InChIKeyACCKRCCXNSXETL-UHFFFAOYSA-N
XLogP1.87
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 93032270
3-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 40538169
6-chloro-N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 62239936
6-chloro-N-(1-hydroxybutan-2-yl)pyridazine-3-carboxamide
CID 61041980
5-fluoro-N-(1-hydroxybutan-2-yl)-1-benzothiophene-2-carboxamide
CID 43391475
5-chloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-2-carboxamide
CID 103920023
3,4-difluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920331
N-[(2R)-1-hydroxybutan-2-yl]-2-methyl-1,3-thiazole-4-carboxamide
CID 103920000
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
7-fluoro-N-(2-hydroxyethyl)-N-methylquinoline-2-carboxamide
CID 110485346
2-[(7-chloroquinoline-2-carbonyl)amino]propanoic acid
CID 110490256
2,6-difluoro-N-(1-hydroxybutan-2-yl)-3-methylbenzamide
CID 82815553

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide?
The IUPAC name of 7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide (CID 110485367) is 7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide?
The canonical SMILES for 7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide is CCC(CO)NC(=O)c1ccc2ccc(F)cc2n1.
What is the InChIKey of 7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide?
The InChIKey is ACCKRCCXNSXETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-2-11(8-18)16-14(19)12-6-4-9-3-5-10(15)7-13(9)17-12/h3-7,11,18H,2,8H2,1H3,(H,16,19).
What are the key properties of 7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide?
7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide has a molecular weight of 262.28 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-(1-hydroxybutan-2-yl)quinoline-2-carboxamide is sourced from PubChem (CID 110485367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).