7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one

C16H16N4O2S — CID 169422313

IUPAC7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCN1CCN(c2ccc3c(c2)NC(=O)CC3c2cncs2)C1=O
InChIInChI=1S/C16H16N4O2S/c1-19-4-5-20(16(19)22)10-2-3-11-12(14-8-17-9-23-14)7-15(21)18-13(11)6-10/h2-3,6,8-9,12H,4-5,7H2,1H3,(H,18,21)
InChIKeyCNMSEZQMIAKFQM-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.49
Rot. Bonds2

About 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one

7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 169422313) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID169422313
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCN1CCN(c2ccc3c(c2)NC(=O)CC3c2cncs2)C1=O
InChIInChI=1S/C16H16N4O2S/c1-19-4-5-20(16(19)22)10-2-3-11-12(14-8-17-9-23-14)7-15(21)18-13(11)6-10/h2-3,6,8-9,12H,4-5,7H2,1H3,(H,18,21)
InChIKeyCNMSEZQMIAKFQM-UHFFFAOYSA-N
XLogP2.49
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one (CID 169422313) is 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one is CN1CCN(c2ccc3c(c2)NC(=O)CC3c2cncs2)C1=O.
What is the InChIKey of 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is CNMSEZQMIAKFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-19-4-5-20(16(19)22)10-2-3-11-12(14-8-17-9-23-14)7-15(21)18-13(11)6-10/h2-3,6,8-9,12H,4-5,7H2,1H3,(H,18,21).
What are the key properties of 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one?
7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 328.40 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-methyl-2-oxoimidazolidin-1-yl)-4-(1,3-thiazol-5-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 169422313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).