7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one

C17H17ClN6O — CID 126896886

IUPAC7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(N3CCN(c4ncc(Cl)cn4)CC3)ccc2c1=O
InChIInChI=1S/C17H17ClN6O/c1-22-11-21-15-8-13(2-3-14(15)16(22)25)23-4-6-24(7-5-23)17-19-9-12(18)10-20-17/h2-3,8-11H,4-7H2,1H3
InChIKeyMGWBAVAECSHBKP-UHFFFAOYSA-N
MW356.82 g/mol
LogP1.70
Rot. Bonds2

About 7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one

7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one (PubChem CID 126896886) has the molecular formula C17H17ClN6O and a molecular weight of 356.82 g/mol. Its IUPAC name is 7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one
PubChem CID126896886
Molecular FormulaC17H17ClN6O
Molecular Weight356.82 g/mol
Exact Mass356.12
IUPAC Name7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(N3CCN(c4ncc(Cl)cn4)CC3)ccc2c1=O
InChIInChI=1S/C17H17ClN6O/c1-22-11-21-15-8-13(2-3-14(15)16(22)25)23-4-6-24(7-5-23)17-19-9-12(18)10-20-17/h2-3,8-11H,4-7H2,1H3
InChIKeyMGWBAVAECSHBKP-UHFFFAOYSA-N
XLogP1.70
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.82
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896880
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-(cyclopropylmethyl)quinazolin-4-one
CID 126897722
3-methyl-7-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126896954
3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897138
3-methyl-7-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896972
3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126896977
3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126896874
3-methyl-7-[4-(1,2-thiazol-4-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897067
3-methyl-7-[4-(1-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126897105
3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one
CID 126896965
7-[4-(2-cyclopentylacetyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896770
3-methyl-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897077

Frequently Asked Questions

What is the IUPAC name of 7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one?
The IUPAC name of 7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one (CID 126896886) is 7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one is Cn1cnc2cc(N3CCN(c4ncc(Cl)cn4)CC3)ccc2c1=O.
What is the InChIKey of 7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one?
The InChIKey is MGWBAVAECSHBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O/c1-22-11-21-15-8-13(2-3-14(15)16(22)25)23-4-6-24(7-5-23)17-19-9-12(18)10-20-17/h2-3,8-11H,4-7H2,1H3.
What are the key properties of 7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one?
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one has a molecular weight of 356.82 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 126896886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).