N-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

C23H25FN2O — CID 123311100

IUPACN-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
SMILESCc1cc(-c2ccc3ccc(F)cc3n2)cc(C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C23H25FN2O/c1-14-10-17(11-15(2)22(14)26-21(27)13-23(3,4)5)19-9-7-16-6-8-18(24)12-20(16)25-19/h6-12H,13H2,1-5H3,(H,26,27)
InChIKeyPXGDWURJPXLPES-UHFFFAOYSA-N
MW364.46 g/mol
LogP6.03
Rot. Bonds3

About N-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide

N-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide (PubChem CID 123311100) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is N-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
PubChem CID123311100
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC NameN-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
SMILESCc1cc(-c2ccc3ccc(F)cc3n2)cc(C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C23H25FN2O/c1-14-10-17(11-15(2)22(14)26-21(27)13-23(3,4)5)19-9-7-16-6-8-18(24)12-20(16)25-19/h6-12H,13H2,1-5H3,(H,26,27)
InChIKeyPXGDWURJPXLPES-UHFFFAOYSA-N
XLogP6.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.46
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-(4-isoquinolin-3-yl-2,6-dimethylphenyl)-3,3-dimethylbutanamide
CID 144594500
N-[4-(6-fluoro-1,4-dihydronaphthalen-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 123553871
2-(3,5-dimethylphenyl)-7-fluoroquinoline
CID 59288826
N-[6-[(2,4-difluorophenoxy)methyl]-2,4-dimethyl-3-pyridinyl]-3,3-dimethylbutanamide
CID 73387982
N-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide
CID 73388196
N-[4-(7-fluoro-1,3-dihydro-2-benzazepin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide
CID 167440588
N-[3-(2,4-difluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-yl]-3,3-dimethylbutanamide
CID 130359706
CID 176950560
CID 176950560
N-(5-fluoro-2-methoxyphenyl)-3,3-dimethylbutanamide
CID 110776589
N-[3-(2,4-dimethylphenyl)-5-methyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
CID 42686116
N-(2-cyano-4-fluorophenyl)-3,3-dimethylbutanamide
CID 79953681
N-[2-chloro-4-(7-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-6-methylphenyl]-3,3-dimethylbutanamide
CID 24937204

Frequently Asked Questions

What is the IUPAC name of N-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide (CID 123311100) is N-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide is Cc1cc(-c2ccc3ccc(F)cc3n2)cc(C)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide?
The InChIKey is PXGDWURJPXLPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O/c1-14-10-17(11-15(2)22(14)26-21(27)13-23(3,4)5)19-9-7-16-6-8-18(24)12-20(16)25-19/h6-12H,13H2,1-5H3,(H,26,27).
What are the key properties of N-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide?
N-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide has a molecular weight of 364.46 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-fluoroquinolin-2-yl)-2,6-dimethylphenyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 123311100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).