(3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one

C31H30N2O2 — CID 57279252

IUPAC(3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one
SMILESCOCCN1C(=O)[C@@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C31H30N2O2/c1-35-22-21-33-29-20-12-11-13-24(29)23-28(30(33)34)32-31(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-20,28,32H,21-23H2,1H3/t28-/m0/s1
InChIKeyOQPXCAFFVXQDLL-NDEPHWFRSA-N
MW462.59 g/mol
LogP5.17
Rot. Bonds8

About (3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one

(3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one (PubChem CID 57279252) has the molecular formula C31H30N2O2 and a molecular weight of 462.59 g/mol. Its IUPAC name is (3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name(3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one
PubChem CID57279252
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC Name(3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one
SMILESCOCCN1C(=O)[C@@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)Cc2ccccc21
InChIInChI=1S/C31H30N2O2/c1-35-22-21-33-29-20-12-11-13-24(29)23-28(30(33)34)32-31(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-20,28,32H,21-23H2,1H3/t28-/m0/s1
InChIKeyOQPXCAFFVXQDLL-NDEPHWFRSA-N
XLogP5.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one?
The IUPAC name of (3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one (CID 57279252) is (3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one.
What is the SMILES notation for (3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one?
The canonical SMILES for (3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one is COCCN1C(=O)[C@@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)Cc2ccccc21.
What is the InChIKey of (3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one?
The InChIKey is OQPXCAFFVXQDLL-NDEPHWFRSA-N. The full InChI is InChI=1S/C31H30N2O2/c1-35-22-21-33-29-20-12-11-13-24(29)23-28(30(33)34)32-31(25-14-5-2-6-15-25,26-16-7-3-8-17-26)27-18-9-4-10-19-27/h2-20,28,32H,21-23H2,1H3/t28-/m0/s1.
What are the key properties of (3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one?
(3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one has a molecular weight of 462.59 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(2-methoxyethyl)-3-(tritylamino)-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 57279252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).