1-[(4R)-4-anilino-6-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

C24H24N2O2 — CID 118719876

IUPAC1-[(4R)-4-anilino-6-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCOc1ccc(-c2ccc3c(c2)[C@H](Nc2ccccc2)CCN3C(C)=O)cc1
InChIInChI=1S/C24H24N2O2/c1-17(27)26-15-14-23(25-20-6-4-3-5-7-20)22-16-19(10-13-24(22)26)18-8-11-21(28-2)12-9-18/h3-13,16,23,25H,14-15H2,1-2H3/t23-/m1/s1
InChIKeyRQQNIOYWIPRSRO-HSZRJFAPSA-N
MW372.47 g/mol
LogP5.27
Rot. Bonds4

About 1-[(4R)-4-anilino-6-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[(4R)-4-anilino-6-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 118719876) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 1-[(4R)-4-anilino-6-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4R)-4-anilino-6-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID118719876
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name1-[(4R)-4-anilino-6-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCOc1ccc(-c2ccc3c(c2)[C@H](Nc2ccccc2)CCN3C(C)=O)cc1
InChIInChI=1S/C24H24N2O2/c1-17(27)26-15-14-23(25-20-6-4-3-5-7-20)22-16-19(10-13-24(22)26)18-8-11-21(28-2)12-9-18/h3-13,16,23,25H,14-15H2,1-2H3/t23-/m1/s1
InChIKeyRQQNIOYWIPRSRO-HSZRJFAPSA-N
XLogP5.27
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 ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4R)-4-anilino-6-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[(4R)-4-anilino-6-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 118719876) is 1-[(4R)-4-anilino-6-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[(4R)-4-anilino-6-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[(4R)-4-anilino-6-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is COc1ccc(-c2ccc3c(c2)[C@H](Nc2ccccc2)CCN3C(C)=O)cc1.
What is the InChIKey of 1-[(4R)-4-anilino-6-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is RQQNIOYWIPRSRO-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-17(27)26-15-14-23(25-20-6-4-3-5-7-20)22-16-19(10-13-24(22)26)18-8-11-21(28-2)12-9-18/h3-13,16,23,25H,14-15H2,1-2H3/t23-/m1/s1.
What are the key properties of 1-[(4R)-4-anilino-6-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[(4R)-4-anilino-6-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 372.47 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4R)-4-anilino-6-(4-methoxyphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 118719876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).