[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

C26H28N2O4 — CID 1114767

IUPAC[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)cc(OC)c1OC
InChIInChI=1S/C26H28N2O4/c1-17-14-21(27-19-10-6-5-7-11-19)20-12-8-9-13-22(20)28(17)26(29)18-15-23(30-2)25(32-4)24(16-18)31-3/h5-13,15-17,21,27H,14H2,1-4H3/t17-,21+/m1/s1
InChIKeyQFIXBHWXPCSEAH-UTKZUKDTSA-N
MW432.52 g/mol
LogP5.30
Rot. Bonds6

About [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 1114767) has the molecular formula C26H28N2O4 and a molecular weight of 432.52 g/mol. Its IUPAC name is [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID1114767
Molecular FormulaC26H28N2O4
Molecular Weight432.52 g/mol
Exact Mass432.20
IUPAC Name[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)cc(OC)c1OC
InChIInChI=1S/C26H28N2O4/c1-17-14-21(27-19-10-6-5-7-11-19)20-12-8-9-13-22(20)28(17)26(29)18-15-23(30-2)25(32-4)24(16-18)31-3/h5-13,15-17,21,27H,14H2,1-4H3/t17-,21+/m1/s1
InChIKeyQFIXBHWXPCSEAH-UTKZUKDTSA-N
XLogP5.30
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

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Related Compounds

[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 1114765
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 585634
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-methoxyphenyl)methanone
CID 584780
1-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 163085095
(E)-1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 1312733
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-bromophenyl)methanone
CID 2843974
1-[(2S,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1341342
(4-methoxyphenyl)-[(2S,4R)-2-methyl-4-(pyridin-4-ylamino)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 68923504
[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-chloro-3-nitrophenyl)methanone
CID 3117899
1-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
CID 695224

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 1114767) is [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)cc(OC)c1OC.
What is the InChIKey of [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is QFIXBHWXPCSEAH-UTKZUKDTSA-N. The full InChI is InChI=1S/C26H28N2O4/c1-17-14-21(27-19-10-6-5-7-11-19)20-12-8-9-13-22(20)28(17)26(29)18-15-23(30-2)25(32-4)24(16-18)31-3/h5-13,15-17,21,27H,14H2,1-4H3/t17-,21+/m1/s1.
What are the key properties of [(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone?
[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 432.52 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 1114767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).