7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one

C18H24N4O3S — CID 126897115

IUPAC7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(N3CCN(CC4CCS(=O)(=O)C4)CC3)ccc2c1=O
InChIInChI=1S/C18H24N4O3S/c1-20-13-19-17-10-15(2-3-16(17)18(20)23)22-7-5-21(6-8-22)11-14-4-9-26(24,25)12-14/h2-3,10,13-14H,4-9,11-12H2,1H3
InChIKeyUPZUQYVPAYCEKV-UHFFFAOYSA-N
MW376.48 g/mol
LogP0.49
Rot. Bonds3

About 7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one

7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one (PubChem CID 126897115) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one
PubChem CID126897115
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(N3CCN(CC4CCS(=O)(=O)C4)CC3)ccc2c1=O
InChIInChI=1S/C18H24N4O3S/c1-20-13-19-17-10-15(2-3-16(17)18(20)23)22-7-5-21(6-8-22)11-14-4-9-26(24,25)12-14/h2-3,10,13-14H,4-9,11-12H2,1H3
InChIKeyUPZUQYVPAYCEKV-UHFFFAOYSA-N
XLogP0.49
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one with MolForge

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Related Compounds

7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896770
3-methyl-7-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896972
3-methyl-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897077
3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126896977
3-methyl-7-[4-(1,2-thiazol-4-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897067
3-(cyclopropylmethyl)-7-[4-(oxolan-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897874
7-[4-[(1-acetylpyrrolidin-3-yl)methyl]piperazin-1-yl]-3-(cyclopropylmethyl)quinazolin-4-one
CID 126897842
3-cyclopentyl-7-[4-[(1-methyl-6-oxopiperidin-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898477
3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126897105
7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896910
3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896916
3-(cyclopropylmethyl)-7-[4-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]piperazin-1-yl]quinazolin-4-one
CID 126897793

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one?
The IUPAC name of 7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one (CID 126897115) is 7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one is Cn1cnc2cc(N3CCN(CC4CCS(=O)(=O)C4)CC3)ccc2c1=O.
What is the InChIKey of 7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one?
The InChIKey is UPZUQYVPAYCEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-20-13-19-17-10-15(2-3-16(17)18(20)23)22-7-5-21(6-8-22)11-14-4-9-26(24,25)12-14/h2-3,10,13-14H,4-9,11-12H2,1H3.
What are the key properties of 7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one?
7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one has a molecular weight of 376.48 g/mol, XLogP of 0.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(1,1-dioxothiolan-3-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 126897115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).