7-[4-[[2-(2-methylsulfanylphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one

C24H30N2O2S — CID 164615867

IUPAC7-[4-[[2-(2-methylsulfanylphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCSc1ccccc1C1CC1CNCCCCOc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C24H30N2O2S/c1-29-23-7-3-2-6-20(23)21-14-18(21)16-25-12-4-5-13-28-19-10-8-17-9-11-24(27)26-22(17)15-19/h2-3,6-8,10,15,18,21,25H,4-5,9,11-14,16H2,1H3,(H,26,27)
InChIKeyVEFKQCVWZLAVCM-UHFFFAOYSA-N
MW410.58 g/mol
LogP4.85
Rot. Bonds10

About 7-[4-[[2-(2-methylsulfanylphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one

7-[4-[[2-(2-methylsulfanylphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 164615867) has the molecular formula C24H30N2O2S and a molecular weight of 410.58 g/mol. Its IUPAC name is 7-[4-[[2-(2-methylsulfanylphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[4-[[2-(2-methylsulfanylphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID164615867
Molecular FormulaC24H30N2O2S
Molecular Weight410.58 g/mol
Exact Mass410.20
IUPAC Name7-[4-[[2-(2-methylsulfanylphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCSc1ccccc1C1CC1CNCCCCOc1ccc2c(c1)NC(=O)CC2
InChIInChI=1S/C24H30N2O2S/c1-29-23-7-3-2-6-20(23)21-14-18(21)16-25-12-4-5-13-28-19-10-8-17-9-11-24(27)26-22(17)15-19/h2-3,6-8,10,15,18,21,25H,4-5,9,11-14,16H2,1H3,(H,26,27)
InChIKeyVEFKQCVWZLAVCM-UHFFFAOYSA-N
XLogP4.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.58
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 12899503
Tetra-hydro-isoquinoline derivative 3
CID 137653313
Tetra-hydro-isoquinoline derivative 2
CID 46829772
Tetra-hydro-isoquinoline derivative 4
CID 137652717
7-[6-(4-benzylpiperidin-1-yl)hexoxy]-3,4-dihydro-1H-quinolin-2-one
CID 20438759
7-(3-piperidin-1-ylpropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 23454034
7-(Benzyloxy)-3,4-dihydrocarbostyril
CID 44362531
7-[4-[4-(3-ethoxyphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 66559778
7-[5-[[2-(2-methoxyphenyl)cyclopropyl]methylamino]pentoxy]-3,4-dihydro-1H-quinolin-2-one
CID 164040127
7-[4-[[2-(2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 164614576
7-[4-[[2-(5-chloro-2-methoxyphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 164616008
7-[4-[(2-naphthalen-1-ylcyclopropyl)methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one
CID 164618742

Frequently Asked Questions

What is the IUPAC name of 7-[4-[[2-(2-methylsulfanylphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-[4-[[2-(2-methylsulfanylphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one (CID 164615867) is 7-[4-[[2-(2-methylsulfanylphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-[4-[[2-(2-methylsulfanylphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-[4-[[2-(2-methylsulfanylphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one is CSc1ccccc1C1CC1CNCCCCOc1ccc2c(c1)NC(=O)CC2.
What is the InChIKey of 7-[4-[[2-(2-methylsulfanylphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is VEFKQCVWZLAVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2S/c1-29-23-7-3-2-6-20(23)21-14-18(21)16-25-12-4-5-13-28-19-10-8-17-9-11-24(27)26-22(17)15-19/h2-3,6-8,10,15,18,21,25H,4-5,9,11-14,16H2,1H3,(H,26,27).
What are the key properties of 7-[4-[[2-(2-methylsulfanylphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one?
7-[4-[[2-(2-methylsulfanylphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 410.58 g/mol, XLogP of 4.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[[2-(2-methylsulfanylphenyl)cyclopropyl]methylamino]butoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 164615867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).