8-fluoro-2-methyl-N-propylquinoline-4-carboxamide

C14H15FN2O — CID 110489274

IUPAC8-fluoro-2-methyl-N-propylquinoline-4-carboxamide
SMILESCCCNC(=O)c1cc(C)nc2c(F)cccc12
InChIInChI=1S/C14H15FN2O/c1-3-7-16-14(18)11-8-9(2)17-13-10(11)5-4-6-12(13)15/h4-6,8H,3,7H2,1-2H3,(H,16,18)
InChIKeyVHPNCNKCNDRZLR-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.82
Rot. Bonds3

About 8-fluoro-2-methyl-N-propylquinoline-4-carboxamide

8-fluoro-2-methyl-N-propylquinoline-4-carboxamide (PubChem CID 110489274) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is 8-fluoro-2-methyl-N-propylquinoline-4-carboxamide.

Molecular Properties

Compound Name8-fluoro-2-methyl-N-propylquinoline-4-carboxamide
PubChem CID110489274
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name8-fluoro-2-methyl-N-propylquinoline-4-carboxamide
SMILESCCCNC(=O)c1cc(C)nc2c(F)cccc12
InChIInChI=1S/C14H15FN2O/c1-3-7-16-14(18)11-8-9(2)17-13-10(11)5-4-6-12(13)15/h4-6,8H,3,7H2,1-2H3,(H,16,18)
InChIKeyVHPNCNKCNDRZLR-UHFFFAOYSA-N
XLogP2.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-8-fluoro-2-methylquinoline-4-carboxamide
CID 110489287
N,N-diethyl-8-fluoro-2-methylquinoline-4-carboxamide
CID 110489286
8-fluoro-2-methyl-N-phenylquinoline-4-carboxamide
CID 110489296
8-fluoro-2-methylquinoline-4-carboxylic acid;(8-fluoro-2-methylquinolin-4-yl)methanol
CID 159119849
N-[2-(dimethylsulfamoyl)ethyl]-2,8-dimethylquinoline-4-carboxamide
CID 46993368
N-[3-(diethylamino)propyl]-2-methyl-8-phenylquinoline-4-carboxamide
CID 46334607
2,8-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]quinoline-4-carboxamide
CID 70718889
3-[(8-fluoro-2-methylquinolin-4-yl)amino]-2-hydroxy-2-methylpropanoic acid
CID 122060920
1-[3-[(8-fluoro-2-methylquinolin-4-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 133369306
3-hydroxy-N-propylnaphthalene-1-carboxamide
CID 139771851
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
2-methyl-6-nitro-N-propylquinoline-4-carboxamide
CID 110489389

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-N-propylquinoline-4-carboxamide?
The IUPAC name of 8-fluoro-2-methyl-N-propylquinoline-4-carboxamide (CID 110489274) is 8-fluoro-2-methyl-N-propylquinoline-4-carboxamide.
What is the SMILES notation for 8-fluoro-2-methyl-N-propylquinoline-4-carboxamide?
The canonical SMILES for 8-fluoro-2-methyl-N-propylquinoline-4-carboxamide is CCCNC(=O)c1cc(C)nc2c(F)cccc12.
What is the InChIKey of 8-fluoro-2-methyl-N-propylquinoline-4-carboxamide?
The InChIKey is VHPNCNKCNDRZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c1-3-7-16-14(18)11-8-9(2)17-13-10(11)5-4-6-12(13)15/h4-6,8H,3,7H2,1-2H3,(H,16,18).
What are the key properties of 8-fluoro-2-methyl-N-propylquinoline-4-carboxamide?
8-fluoro-2-methyl-N-propylquinoline-4-carboxamide has a molecular weight of 246.28 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-N-propylquinoline-4-carboxamide is sourced from PubChem (CID 110489274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).