6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one

C22H23N3O3S — CID 10835345

IUPAC6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccccc1-n1ccnc1SC[C@H](O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H23N3O3S/c1-15-4-2-3-5-20(15)25-11-10-23-22(25)29-14-17(26)13-28-18-7-8-19-16(12-18)6-9-21(27)24-19/h2-5,7-8,10-12,17,26H,6,9,13-14H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyYFTSDPMNSSUDMW-QGZVFWFLSA-N
MW409.51 g/mol
LogP3.60
Rot. Bonds7

About 6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one

6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 10835345) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one
PubChem CID10835345
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC Name6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ccccc1-n1ccnc1SC[C@H](O)COc1ccc2c(c1)CCC(=O)N2
InChIInChI=1S/C22H23N3O3S/c1-15-4-2-3-5-20(15)25-11-10-23-22(25)29-14-17(26)13-28-18-7-8-19-16(12-18)6-9-21(27)24-19/h2-5,7-8,10-12,17,26H,6,9,13-14H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyYFTSDPMNSSUDMW-QGZVFWFLSA-N
XLogP3.60
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one (CID 10835345) is 6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one is Cc1ccccc1-n1ccnc1SC[C@H](O)COc1ccc2c(c1)CCC(=O)N2.
What is the InChIKey of 6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is YFTSDPMNSSUDMW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-15-4-2-3-5-20(15)25-11-10-23-22(25)29-14-17(26)13-28-18-7-8-19-16(12-18)6-9-21(27)24-19/h2-5,7-8,10-12,17,26H,6,9,13-14H2,1H3,(H,24,27)/t17-/m1/s1.
What are the key properties of 6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one?
6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 409.51 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-hydroxy-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 10835345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).