1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one

C15H17N5O2S — CID 42895998

IUPAC1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one
SMILESCNc1nc(SC(C)C(=O)N2CCNC2=O)nc2ccccc12
InChIInChI=1S/C15H17N5O2S/c1-9(13(21)20-8-7-17-15(20)22)23-14-18-11-6-4-3-5-10(11)12(16-2)19-14/h3-6,9H,7-8H2,1-2H3,(H,17,22)(H,16,18,19)
InChIKeyOQCIUMWDMSNZHK-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.70
Rot. Bonds4

About 1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one

1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one (PubChem CID 42895998) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one
PubChem CID42895998
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one
SMILESCNc1nc(SC(C)C(=O)N2CCNC2=O)nc2ccccc12
InChIInChI=1S/C15H17N5O2S/c1-9(13(21)20-8-7-17-15(20)22)23-14-18-11-6-4-3-5-10(11)12(16-2)19-14/h3-6,9H,7-8H2,1-2H3,(H,17,22)(H,16,18,19)
InChIKeyOQCIUMWDMSNZHK-UHFFFAOYSA-N
XLogP1.70
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-[4-(methylamino)quinazolin-2-yl]sulfanylbutan-2-one
CID 31938126
1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one
CID 17399038
1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 8734449
(2R)-2-[4-(ethylamino)quinazolin-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 92839691
5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one
CID 136826351
1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 40679039
(3R)-3-[4-(ethylamino)quinazolin-2-yl]sulfanylbutan-2-one
CID 95574265
1-[(2R)-2-(2,5-difluorophenyl)sulfanylpropanoyl]imidazolidin-2-one
CID 9062916
1-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]propanoyl]imidazolidin-2-one
CID 18091330
1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 40675754
1-[2-(4H-3,1-benzothiazin-2-ylsulfanyl)propanoyl]imidazolidin-2-one
CID 17414628
1-[2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 42893462

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one (CID 42895998) is 1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one is CNc1nc(SC(C)C(=O)N2CCNC2=O)nc2ccccc12.
What is the InChIKey of 1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one?
The InChIKey is OQCIUMWDMSNZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-9(13(21)20-8-7-17-15(20)22)23-14-18-11-6-4-3-5-10(11)12(16-2)19-14/h3-6,9H,7-8H2,1-2H3,(H,17,22)(H,16,18,19).
What are the key properties of 1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one?
1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one has a molecular weight of 331.40 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one is sourced from PubChem (CID 42895998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).