[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone

C25H25FN2O — CID 3785325

IUPAC[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
SMILESCc1ccc(NC2CC(C)N(C(=O)c3ccc(F)cc3)c3cc(C)ccc32)cc1
InChIInChI=1S/C25H25FN2O/c1-16-4-11-21(12-5-16)27-23-15-18(3)28(24-14-17(2)6-13-22(23)24)25(29)19-7-9-20(26)10-8-19/h4-14,18,23,27H,15H2,1-3H3
InChIKeyYZLMSOZGERQZHO-UHFFFAOYSA-N
MW388.49 g/mol
LogP6.03
Rot. Bonds3

About [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone

[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 3785325) has the molecular formula C25H25FN2O and a molecular weight of 388.49 g/mol. Its IUPAC name is [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
PubChem CID3785325
Molecular FormulaC25H25FN2O
Molecular Weight388.49 g/mol
Exact Mass388.20
IUPAC Name[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
SMILESCc1ccc(NC2CC(C)N(C(=O)c3ccc(F)cc3)c3cc(C)ccc32)cc1
InChIInChI=1S/C25H25FN2O/c1-16-4-11-21(12-5-16)27-23-15-18(3)28(24-14-17(2)6-13-22(23)24)25(29)19-7-9-20(26)10-8-19/h4-14,18,23,27H,15H2,1-3H3
InChIKeyYZLMSOZGERQZHO-UHFFFAOYSA-N
XLogP6.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.49
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)methanone
CID 2874698
[(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 118870735
[(2S,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone
CID 6997421
1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 87080319
1-[(2S,4S)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118870774
[(2R,4S)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone
CID 171984662
[(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone
CID 7709856
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-bromophenyl)methanone
CID 2843974
1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]ethanone
CID 90364431
1-[2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 139548220
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
CID 1102966
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 585634

Frequently Asked Questions

What is the IUPAC name of [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone (CID 3785325) is [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone is Cc1ccc(NC2CC(C)N(C(=O)c3ccc(F)cc3)c3cc(C)ccc32)cc1.
What is the InChIKey of [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is YZLMSOZGERQZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O/c1-16-4-11-21(12-5-16)27-23-15-18(3)28(24-14-17(2)6-13-22(23)24)25(29)19-7-9-20(26)10-8-19/h4-14,18,23,27H,15H2,1-3H3.
What are the key properties of [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone?
[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 388.49 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 [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 3785325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).