2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile

C17H15FN2 — CID 115367528

IUPAC2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
SMILESCC1Cc2ccccc2N(c2ccc(C#N)c(F)c2)C1
InChIInChI=1S/C17H15FN2/c1-12-8-13-4-2-3-5-17(13)20(11-12)15-7-6-14(10-19)16(18)9-15/h2-7,9,12H,8,11H2,1H3
InChIKeyBSSVYMBSACLZKK-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.03
Rot. Bonds1

About 2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile

2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile (PubChem CID 115367528) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
PubChem CID115367528
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile
SMILESCC1Cc2ccccc2N(c2ccc(C#N)c(F)c2)C1
InChIInChI=1S/C17H15FN2/c1-12-8-13-4-2-3-5-17(13)20(11-12)15-7-6-14(10-19)16(18)9-15/h2-7,9,12H,8,11H2,1H3
InChIKeyBSSVYMBSACLZKK-UHFFFAOYSA-N
XLogP4.03
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzenecarbothioamide
CID 115368336
2-fluoro-4-(4-hydroxy-2-oxopyrrolidin-1-yl)benzonitrile
CID 168703363
1-(3-fluoro-5-nitrophenyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 80752021
1-(4-cyano-3-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712437
2-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]ethanamine
CID 106532388
1-[3-fluoro-5-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)phenyl]-N-methylmethanamine
CID 106530990
2-fluoro-4-(3-methylpyrrolidin-1-yl)benzonitrile
CID 115367221
2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194409
3-amino-6-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carbonitrile
CID 103468438
3,5-dichloro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)aniline
CID 106890411
2-fluoro-4-(3,4,5-trimethylpiperazin-1-yl)benzonitrile
CID 114536900
4-(2,4-dimethylpiperidin-1-yl)-2-fluorobenzonitrile
CID 113295669

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
The IUPAC name of 2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile (CID 115367528) is 2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
The canonical SMILES for 2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile is CC1Cc2ccccc2N(c2ccc(C#N)c(F)c2)C1.
What is the InChIKey of 2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
The InChIKey is BSSVYMBSACLZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c1-12-8-13-4-2-3-5-17(13)20(11-12)15-7-6-14(10-19)16(18)9-15/h2-7,9,12H,8,11H2,1H3.
What are the key properties of 2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile?
2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile has a molecular weight of 266.32 g/mol, XLogP of 4.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)benzonitrile is sourced from PubChem (CID 115367528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).