1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one

C18H23N5O3S — CID 14668415

IUPAC1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one
SMILESCOc1cc2ncnc(N3CCC(N4CCNC4=O)CC3)c2cc1S(C)=O
InChIInChI=1S/C18H23N5O3S/c1-26-15-10-14-13(9-16(15)27(2)25)17(21-11-20-14)22-6-3-12(4-7-22)23-8-5-19-18(23)24/h9-12H,3-8H2,1-2H3,(H,19,24)
InChIKeyOTMFODTUWMNNNT-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.37
Rot. Bonds4

About 1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one

1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one (PubChem CID 14668415) has the molecular formula C18H23N5O3S and a molecular weight of 389.48 g/mol. Its IUPAC name is 1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one
PubChem CID14668415
Molecular FormulaC18H23N5O3S
Molecular Weight389.48 g/mol
Exact Mass389.15
IUPAC Name1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one
SMILESCOc1cc2ncnc(N3CCC(N4CCNC4=O)CC3)c2cc1S(C)=O
InChIInChI=1S/C18H23N5O3S/c1-26-15-10-14-13(9-16(15)27(2)25)17(21-11-20-14)22-6-3-12(4-7-22)23-8-5-19-18(23)24/h9-12H,3-8H2,1-2H3,(H,19,24)
InChIKeyOTMFODTUWMNNNT-UHFFFAOYSA-N
XLogP1.37
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione
CID 14738824
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
1-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)imidazolidin-2-one
CID 56815569
6,7-dimethoxy-4-(2-methylsulfinyl-7-azaspiro[3.5]nonan-7-yl)quinazoline
CID 157040957
6,7-dimethoxy-4-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]quinazoline
CID 154575992
3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 14668436
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154
4-(azetidin-1-yl)-6-ethyl-7-methoxyquinazoline
CID 176978917
1-[1-(8-methoxy-3-methylquinolin-4-yl)piperidin-4-yl]imidazolidin-2-one
CID 91651269
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
CID 165435774
5-bromo-3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-6-methyl-1H-benzimidazol-2-one
CID 139785951

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one (CID 14668415) is 1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one is COc1cc2ncnc(N3CCC(N4CCNC4=O)CC3)c2cc1S(C)=O.
What is the InChIKey of 1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one?
The InChIKey is OTMFODTUWMNNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3S/c1-26-15-10-14-13(9-16(15)27(2)25)17(21-11-20-14)22-6-3-12(4-7-22)23-8-5-19-18(23)24/h9-12H,3-8H2,1-2H3,(H,19,24).
What are the key properties of 1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one?
1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one has a molecular weight of 389.48 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 14668415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).