[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone

C24H24N2O2 — CID 1102972

IUPAC[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)c1
InChIInChI=1S/C24H24N2O2/c1-17-15-22(25-19-10-4-3-5-11-19)21-13-6-7-14-23(21)26(17)24(27)18-9-8-12-20(16-18)28-2/h3-14,16-17,22,25H,15H2,1-2H3/t17-,22+/m1/s1
InChIKeyCUOBWTUYPBFNMO-VGSWGCGISA-N
MW372.47 g/mol
LogP5.29
Rot. Bonds4

About [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone

[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 1102972) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID1102972
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)c1
InChIInChI=1S/C24H24N2O2/c1-17-15-22(25-19-10-4-3-5-11-19)21-13-6-7-14-23(21)26(17)24(27)18-9-8-12-20(16-18)28-2/h3-14,16-17,22,25H,15H2,1-2H3/t17-,22+/m1/s1
InChIKeyCUOBWTUYPBFNMO-VGSWGCGISA-N
XLogP5.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone (CID 1102972) is [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)c1.
What is the InChIKey of [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is CUOBWTUYPBFNMO-VGSWGCGISA-N. The full InChI is InChI=1S/C24H24N2O2/c1-17-15-22(25-19-10-4-3-5-11-19)21-13-6-7-14-23(21)26(17)24(27)18-9-8-12-20(16-18)28-2/h3-14,16-17,22,25H,15H2,1-2H3/t17-,22+/m1/s1.
What are the key properties of [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone?
[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 372.47 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 1102972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).