3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one

C18H21N3OS — CID 56711403

IUPAC3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCC(C)c1nc(CN(C)Cc2cc3ccccc3[nH]c2=O)cs1
InChIInChI=1S/C18H21N3OS/c1-12(2)18-19-15(11-23-18)10-21(3)9-14-8-13-6-4-5-7-16(13)20-17(14)22/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)
InChIKeyLYSVPCKMFQIADI-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.74
Rot. Bonds5

About 3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one

3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one (PubChem CID 56711403) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one
PubChem CID56711403
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one
SMILESCC(C)c1nc(CN(C)Cc2cc3ccccc3[nH]c2=O)cs1
InChIInChI=1S/C18H21N3OS/c1-12(2)18-19-15(11-23-18)10-21(3)9-14-8-13-6-4-5-7-16(13)20-17(14)22/h4-8,11-12H,9-10H2,1-3H3,(H,20,22)
InChIKeyLYSVPCKMFQIADI-UHFFFAOYSA-N
XLogP3.74
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one with MolForge

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Related Compounds

N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylacetamide
CID 945365
3-[[methyl-[(3-methyl-1H-indol-2-yl)methyl]amino]methyl]-1H-quinolin-2-one
CID 56703217
7-methyl-3-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1H-quinolin-2-one
CID 56721286
1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62334490
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 942796
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylpyridine-4-carboxamide
CID 1400292
N-(2-methylpropyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]methanesulfonamide
CID 4903915
N-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]benzenesulfonamide
CID 935269
7-fluoro-3-[[methyl(2-pyridin-2-ylethyl)amino]methyl]-1H-quinolin-2-one
CID 56723183
N-benzyl-2-methyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2038527
N-methyl-6-oxo-2-propan-2-yl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 156585739
N,2-dimethyl-6-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-4-carboxamide
CID 77085896

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one (CID 56711403) is 3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one is CC(C)c1nc(CN(C)Cc2cc3ccccc3[nH]c2=O)cs1.
What is the InChIKey of 3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one?
The InChIKey is LYSVPCKMFQIADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-12(2)18-19-15(11-23-18)10-21(3)9-14-8-13-6-4-5-7-16(13)20-17(14)22/h4-8,11-12H,9-10H2,1-3H3,(H,20,22).
What are the key properties of 3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one?
3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one has a molecular weight of 327.45 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 56711403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).