3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one

C15H15N3OS — CID 63280022

IUPAC3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one
SMILESCc1ncsc1CNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C15H15N3OS/c1-10-14(20-9-17-10)8-16-7-12-6-11-4-2-3-5-13(11)18-15(12)19/h2-6,9,16H,7-8H2,1H3,(H,18,19)
InChIKeyQOONMUHRYWFWNL-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.58
Rot. Bonds4

About 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one

3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one (PubChem CID 63280022) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one
PubChem CID63280022
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one
SMILESCc1ncsc1CNCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C15H15N3OS/c1-10-14(20-9-17-10)8-16-7-12-6-11-4-2-3-5-13(11)18-15(12)19/h2-6,9,16H,7-8H2,1H3,(H,18,19)
InChIKeyQOONMUHRYWFWNL-UHFFFAOYSA-N
XLogP2.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1H-imidazol-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 64547030
3-[[2-(1,3-thiazol-4-yl)ethylamino]methyl]-1H-quinolin-2-one
CID 63829701
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
1-(2-methylquinolin-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 78943729
3-[[2-(3,5-dimethyl-2-pyridinyl)ethylamino]methyl]-1H-quinolin-2-one
CID 155952053
3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 944018
3-[(3-methylbut-2-enylamino)methyl]-1H-quinolin-2-one
CID 103527928
3-[[(5-methyl-1,3,4-thiadiazol-2-yl)amino]methyl]-1H-quinolin-2-one
CID 103934132
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
1-(1-benzofuran-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 55172060
3-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
CID 104599995
3-[[(2-hydroxy-2-phenylpropyl)amino]methyl]-1H-quinolin-2-one
CID 111434717

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one (CID 63280022) is 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one is Cc1ncsc1CNCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one?
The InChIKey is QOONMUHRYWFWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-14(20-9-17-10)8-16-7-12-6-11-4-2-3-5-13(11)18-15(12)19/h2-6,9,16H,7-8H2,1H3,(H,18,19).
What are the key properties of 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one?
3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one has a molecular weight of 285.37 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 63280022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).