[(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone

C23H24N2O2 — CID 7709856

IUPAC[(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone
SMILESCc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1
InChIInChI=1S/C23H24N2O2/c1-15-6-9-18(10-7-15)24-20-14-17(3)25(23(26)22-5-4-12-27-22)21-11-8-16(2)13-19(20)21/h4-13,17,20,24H,14H2,1-3H3/t17-,20+/m1/s1
InChIKeyKWZITGFDRCTTQD-XLIONFOSSA-N
MW360.46 g/mol
LogP5.49
Rot. Bonds3

About [(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone

[(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone (PubChem CID 7709856) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is [(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone
PubChem CID7709856
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name[(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone
SMILESCc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1
InChIInChI=1S/C23H24N2O2/c1-15-6-9-18(10-7-15)24-20-14-17(3)25(23(26)22-5-4-12-27-22)21-11-8-16(2)13-19(20)21/h4-13,17,20,24H,14H2,1-3H3/t17-,20+/m1/s1
InChIKeyKWZITGFDRCTTQD-XLIONFOSSA-N
XLogP5.49
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone with MolForge

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Related Compounds

[(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
[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(3-fluorophenyl)methanone
CID 2874698
1-[4-[(2S,4R)-1-acetyl-2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-6-yl]phenyl]ethanone
CID 90364431
[2,7-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 3785325
N-[1-(furan-2-carbonyl)-2-methyl-3,4-dihydro-2H-quinolin-4-yl]-N-(4-methylphenyl)acetamide
CID 58859938
1-[2-methyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 139548220
[(2R,4R)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 118870735
[(4aS,9bS)-2,8-dimethyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-2-ium-5-yl]-(furan-2-yl)methanone
CID 6596221
[6-methoxy-4-(4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-phenylmethanone
CID 3843727
4-[[1-acetyl-2-methyl-6-(4-methylphenyl)-3,4-dihydro-2H-quinolin-4-yl]amino]benzonitrile;ethane
CID 176970174
[(2R,4S)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone
CID 171984662

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone (CID 7709856) is [(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone is Cc1ccc(N[C@H]2C[C@@H](C)N(C(=O)c3ccco3)c3ccc(C)cc32)cc1.
What is the InChIKey of [(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone?
The InChIKey is KWZITGFDRCTTQD-XLIONFOSSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-15-6-9-18(10-7-15)24-20-14-17(3)25(23(26)22-5-4-12-27-22)21-11-8-16(2)13-19(20)21/h4-13,17,20,24H,14H2,1-3H3/t17-,20+/m1/s1.
What are the key properties of [(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone?
[(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 5.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2,6-dimethyl-4-(4-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 7709856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).