6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one

C18H22N2O2S — CID 51963768

IUPAC6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCSCc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)o1
InChIInChI=1S/C18H22N2O2S/c1-12(19-10-15-5-6-16(22-15)11-23-2)13-3-7-17-14(9-13)4-8-18(21)20-17/h3,5-7,9,12,19H,4,8,10-11H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeySIOZKNZUERXHOC-GFCCVEGCSA-N
MW330.45 g/mol
LogP3.88
Rot. Bonds6

About 6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one

6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 51963768) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID51963768
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCSCc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)o1
InChIInChI=1S/C18H22N2O2S/c1-12(19-10-15-5-6-16(22-15)11-23-2)13-3-7-17-14(9-13)4-8-18(21)20-17/h3,5-7,9,12,19H,4,8,10-11H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeySIOZKNZUERXHOC-GFCCVEGCSA-N
XLogP3.88
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[(1R)-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95137572
6-[(1R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95579584
5-(methoxymethyl)-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]furan-2-carboxamide
CID 78890847
6-[(1R)-1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 52534243
6-[(1S)-1-[(2-tert-butyl-1,3-thiazol-4-yl)methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 95582546
6-[(1S)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 97333638
6-[(1S)-1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one
CID 94822379
1-(furan-3-ylmethyl)-3-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]urea
CID 94120743
1-[(1S)-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 94152809
1-amino-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]cyclopropane-1-carboxamide
CID 119729776
6-[1-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one;hydrochloride
CID 51131286
2-butylsulfanyl-N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]propanamide
CID 51089323

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one (CID 51963768) is 6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one is CSCc1ccc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)o1.
What is the InChIKey of 6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SIOZKNZUERXHOC-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12(19-10-15-5-6-16(22-15)11-23-2)13-3-7-17-14(9-13)4-8-18(21)20-17/h3,5-7,9,12,19H,4,8,10-11H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of 6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one?
6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 330.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 51963768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).