(2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one

C14H19NO — CID 158324948

IUPAC(2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one
SMILESC[C@@H]1Nc2c(cccc2C(C)(C)C)CC1=O
InChIInChI=1S/C14H19NO/c1-9-12(16)8-10-6-5-7-11(13(10)15-9)14(2,3)4/h5-7,9,15H,8H2,1-4H3/t9-/m0/s1
InChIKeyAWGIEVRHRXDCAA-VIFPVBQESA-N
MW217.31 g/mol
LogP2.91
Rot. Bonds

About (2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one

(2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one (PubChem CID 158324948) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one.

Molecular Properties

Compound Name(2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one
PubChem CID158324948
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one
SMILESC[C@@H]1Nc2c(cccc2C(C)(C)C)CC1=O
InChIInChI=1S/C14H19NO/c1-9-12(16)8-10-6-5-7-11(13(10)15-9)14(2,3)4/h5-7,9,15H,8H2,1-4H3/t9-/m0/s1
InChIKeyAWGIEVRHRXDCAA-VIFPVBQESA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one?
The IUPAC name of (2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one (CID 158324948) is (2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one.
What is the SMILES notation for (2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one?
The canonical SMILES for (2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one is C[C@@H]1Nc2c(cccc2C(C)(C)C)CC1=O.
What is the InChIKey of (2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one?
The InChIKey is AWGIEVRHRXDCAA-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19NO/c1-9-12(16)8-10-6-5-7-11(13(10)15-9)14(2,3)4/h5-7,9,15H,8H2,1-4H3/t9-/m0/s1.
What are the key properties of (2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one?
(2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one has a molecular weight of 217.31 g/mol, XLogP of 2.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-8-tert-butyl-2-methyl-2,4-dihydro-1H-quinolin-3-one is sourced from PubChem (CID 158324948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).