(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone

C27H23FN2O — CID 4079910

IUPAC(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1c2ccc(F)cc2CCC1C
InChIInChI=1S/C27H23FN2O/c1-17-12-13-20-16-21(28)14-15-24(20)30(17)27(31)25-18(2)26(19-8-4-3-5-9-19)29-23-11-7-6-10-22(23)25/h3-11,14-17H,12-13H2,1-2H3
InChIKeyUZIVAOZSYPANSF-UHFFFAOYSA-N
MW410.49 g/mol
LogP6.33
Rot. Bonds2

About (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone (PubChem CID 4079910) has the molecular formula C27H23FN2O and a molecular weight of 410.49 g/mol. Its IUPAC name is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone
PubChem CID4079910
Molecular FormulaC27H23FN2O
Molecular Weight410.49 g/mol
Exact Mass410.18
IUPAC Name(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1c2ccc(F)cc2CCC1C
InChIInChI=1S/C27H23FN2O/c1-17-12-13-20-16-21(28)14-15-24(20)30(17)27(31)25-18(2)26(19-8-4-3-5-9-19)29-23-11-7-6-10-22(23)25/h3-11,14-17H,12-13H2,1-2H3
InChIKeyUZIVAOZSYPANSF-UHFFFAOYSA-N
XLogP6.33
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.49
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone with MolForge

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Related Compounds

(2,3-diphenylquinoxalin-6-yl)-[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 27307310
(2,6-dimethoxyphenyl)-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 19685239
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 601096
[3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4200957
[2-(2,4-dimethoxyphenyl)quinolin-4-yl]-(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 4556585
3-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazine-2-carboxylic acid
CID 19154792
(3,4-dichlorophenyl)-[(2S)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 873798
(2,4-dihydroxyphenyl)-[(2S)-2-methyl-6-(2-methylquinazolin-4-yl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 127024091
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-thiophen-2-ylmethanone
CID 845075
[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 5005775
[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-methylfuran-3-yl)methanone
CID 896559
ethyl 4-(6-fluoro-2-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 43953850

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone?
The IUPAC name of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone (CID 4079910) is (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone.
What is the SMILES notation for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone?
The canonical SMILES for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1c2ccc(F)cc2CCC1C.
What is the InChIKey of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone?
The InChIKey is UZIVAOZSYPANSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O/c1-17-12-13-20-16-21(28)14-15-24(20)30(17)27(31)25-18(2)26(19-8-4-3-5-9-19)29-23-11-7-6-10-22(23)25/h3-11,14-17H,12-13H2,1-2H3.
What are the key properties of (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone?
(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone has a molecular weight of 410.49 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methyl-2-phenylquinolin-4-yl)methanone is sourced from PubChem (CID 4079910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).