5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

C15H19N3OS — CID 103787166

IUPAC5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCc1cnc(CNC2CCCc3[nH]c(=O)ccc32)s1
InChIInChI=1S/C15H19N3OS/c1-2-10-8-17-15(20-10)9-16-12-4-3-5-13-11(12)6-7-14(19)18-13/h6-8,12,16H,2-5,9H2,1H3,(H,18,19)
InChIKeyVEEIWPVVCOSVCH-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.56
Rot. Bonds4

About 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one

5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (PubChem CID 103787166) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
PubChem CID103787166
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
SMILESCCc1cnc(CNC2CCCc3[nH]c(=O)ccc32)s1
InChIInChI=1S/C15H19N3OS/c1-2-10-8-17-15(20-10)9-16-12-4-3-5-13-11(12)6-7-14(19)18-13/h6-8,12,16H,2-5,9H2,1H3,(H,18,19)
InChIKeyVEEIWPVVCOSVCH-UHFFFAOYSA-N
XLogP2.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one with MolForge

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Related Compounds

5-[(5-methylpyrazin-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108719
5-[[(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)amino]methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 22890957
5-(1,2,4-oxadiazol-3-ylmethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 106393854
5-[(3-methyl-2-pyridinyl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108446
5-(2-aminoethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108138
5-(3,3-dimethylbutylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113260561
5-(2-ethylsulfonylethylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 103781006
5-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 154748280
(5S)-5-(methylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 89053172
5-(2-methylsulfanylpropylamino)-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 113349035
5-[(1-methylpiperidin-4-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81108578
5-[3-(diethylamino)propylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 81109345

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The IUPAC name of 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one (CID 103787166) is 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one.
What is the SMILES notation for 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The canonical SMILES for 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is CCc1cnc(CNC2CCCc3[nH]c(=O)ccc32)s1.
What is the InChIKey of 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
The InChIKey is VEEIWPVVCOSVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-10-8-17-15(20-10)9-16-12-4-3-5-13-11(12)6-7-14(19)18-13/h6-8,12,16H,2-5,9H2,1H3,(H,18,19).
What are the key properties of 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one?
5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one has a molecular weight of 289.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-5,6,7,8-tetrahydro-1H-quinolin-2-one is sourced from PubChem (CID 103787166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).