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

C25H25FN2O — CID 2874698

IUPAC[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)methanone
SMILESCc1ccc(NC2CC(C)N(C(=O)c3cccc(F)c3)c3cc(C)ccc32)cc1
InChIInChI=1S/C25H25FN2O/c1-16-7-10-21(11-8-16)27-23-14-18(3)28(24-13-17(2)9-12-22(23)24)25(29)19-5-4-6-20(26)15-19/h4-13,15,18,23,27H,14H2,1-3H3
InChIKeyWEFYLRFNYYBUNY-UHFFFAOYSA-N
MW388.49 g/mol
LogP6.03
Rot. Bonds3

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

[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 2874698) 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]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)methanone
PubChem CID2874698
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]-(3-fluorophenyl)methanone
SMILESCc1ccc(NC2CC(C)N(C(=O)c3cccc(F)c3)c3cc(C)ccc32)cc1
InChIInChI=1S/C25H25FN2O/c1-16-7-10-21(11-8-16)27-23-14-18(3)28(24-13-17(2)9-12-22(23)24)25(29)19-5-4-6-20(26)15-19/h4-13,15,18,23,27H,14H2,1-3H3
InChIKeyWEFYLRFNYYBUNY-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]-(3-fluorophenyl)methanone with MolForge

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Related Compounds

[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 3785325
[(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 118870735
1-[6-fluoro-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 87080319
[(2R,4S)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone
CID 171984662
[(2S,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-nitrophenyl)methanone
CID 6997421
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 584780
1-[2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 139548220
1-[(2S,4S)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 118870774
[6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 3843727
[(2S,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(2-fluorophenyl)methanone
CID 1048856
(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

Frequently Asked Questions

What is the IUPAC name of [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)methanone (CID 2874698) is [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)methanone is Cc1ccc(NC2CC(C)N(C(=O)c3cccc(F)c3)c3cc(C)ccc32)cc1.
What is the InChIKey of [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is WEFYLRFNYYBUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN2O/c1-16-7-10-21(11-8-16)27-23-14-18(3)28(24-13-17(2)9-12-22(23)24)25(29)19-5-4-6-20(26)15-19/h4-13,15,18,23,27H,14H2,1-3H3.
What are the key properties of [2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)methanone?
[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3-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]-(3-fluorophenyl)methanone is sourced from PubChem (CID 2874698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).