methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate

C17H19NO2S — CID 107777068

IUPACmethyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSc2nc3ccccc3cc2C)CC1
InChIInChI=1S/C17H19NO2S/c1-12-9-13-5-3-4-6-14(13)18-16(12)21-11-17(7-8-17)10-15(19)20-2/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyRPXIDWQXUUQNAV-UHFFFAOYSA-N
MW301.41 g/mol
LogP3.98
Rot. Bonds5

About methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate

methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate (PubChem CID 107777068) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate
PubChem CID107777068
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Namemethyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate
SMILESCOC(=O)CC1(CSc2nc3ccccc3cc2C)CC1
InChIInChI=1S/C17H19NO2S/c1-12-9-13-5-3-4-6-14(13)18-16(12)21-11-17(7-8-17)10-15(19)20-2/h3-6,9H,7-8,10-11H2,1-2H3
InChIKeyRPXIDWQXUUQNAV-UHFFFAOYSA-N
XLogP3.98
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-(quinazolin-2-ylsulfanylmethyl)cyclopropyl]acetate
CID 107777058
methyl 2-[1-[(4-chlorophthalazin-1-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107777562
methyl 2-[1-[(3-formylimidazo[1,2-a]pyridin-2-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107778330
methyl 2-[1-[(3-amino-6-carbamoyl-2-pyridinyl)sulfanylmethyl]cyclopropyl]acetate
CID 107778059
ethyl 2-[[1-(2-methoxy-2-oxoethyl)cyclopropyl]methylsulfanyl]pyridine-3-carboxylate
CID 107776900
methyl 2-[1-[(4-methylpyrimidin-2-yl)sulfanylmethyl]cyclopropyl]acetate
CID 107777017
methyl 2-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylsulfanylmethyl)cyclopropyl]acetate
CID 107777125
methyl 2-[1-[(2-cyano-6-methylphenyl)sulfanylmethyl]cyclopropyl]acetate
CID 114000326
methyl 2-[1-[(3,5-difluoro-2-pyridinyl)sulfanylmethyl]cyclopropyl]acetate
CID 114000327
methyl 2-[1-[[2-[(1S)-1-aminoethyl]phenyl]sulfanylmethyl]cyclopropyl]acetate
CID 107777532
methyl 2-[1-[[2-[(1S)-1-hydroxyethyl]phenyl]sulfanylmethyl]cyclopropyl]acetate
CID 107778461
methyl 2-[1-(thieno[3,2-c]pyridin-4-ylsulfanylmethyl)cyclopropyl]acetate
CID 107776910

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate?
The IUPAC name of methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate (CID 107777068) is methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate.
What is the SMILES notation for methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate?
The canonical SMILES for methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate is COC(=O)CC1(CSc2nc3ccccc3cc2C)CC1.
What is the InChIKey of methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate?
The InChIKey is RPXIDWQXUUQNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-9-13-5-3-4-6-14(13)18-16(12)21-11-17(7-8-17)10-15(19)20-2/h3-6,9H,7-8,10-11H2,1-2H3.
What are the key properties of methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate?
methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate has a molecular weight of 301.41 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-[(3-methylquinolin-2-yl)sulfanylmethyl]cyclopropyl]acetate is sourced from PubChem (CID 107777068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).