7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one

C18H18ClN5O — CID 126896880

IUPAC7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(N3CCN(c4ccncc4Cl)CC3)ccc2c1=O
InChIInChI=1S/C18H18ClN5O/c1-22-12-21-16-10-13(2-3-14(16)18(22)25)23-6-8-24(9-7-23)17-4-5-20-11-15(17)19/h2-5,10-12H,6-9H2,1H3
InChIKeySOAISYOUNNZBQJ-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.31
Rot. Bonds2

About 7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one

7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one (PubChem CID 126896880) has the molecular formula C18H18ClN5O and a molecular weight of 355.83 g/mol. Its IUPAC name is 7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one
PubChem CID126896880
Molecular FormulaC18H18ClN5O
Molecular Weight355.83 g/mol
Exact Mass355.12
IUPAC Name7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one
SMILESCn1cnc2cc(N3CCN(c4ccncc4Cl)CC3)ccc2c1=O
InChIInChI=1S/C18H18ClN5O/c1-22-12-21-16-10-13(2-3-14(16)18(22)25)23-6-8-24(9-7-23)17-4-5-20-11-15(17)19/h2-5,10-12H,6-9H2,1H3
InChIKeySOAISYOUNNZBQJ-UHFFFAOYSA-N
XLogP2.31
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896886
3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897138
3-methyl-7-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126896954
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-methyl-2-oxopiperidin-3-yl)piperazin-1-yl]quinazolin-4-one
CID 126897105
3-methyl-2-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-4-one
CID 126897211
3-methyl-7-[4-(1,2-thiazol-4-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897067
3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
CID 126897212
3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897323
3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one
CID 126896965

Frequently Asked Questions

What is the IUPAC name of 7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one?
The IUPAC name of 7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one (CID 126896880) is 7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one.
What is the SMILES notation for 7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one?
The canonical SMILES for 7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one is Cn1cnc2cc(N3CCN(c4ccncc4Cl)CC3)ccc2c1=O.
What is the InChIKey of 7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one?
The InChIKey is SOAISYOUNNZBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O/c1-22-12-21-16-10-13(2-3-14(16)18(22)25)23-6-8-24(9-7-23)17-4-5-20-11-15(17)19/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one?
7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one has a molecular weight of 355.83 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one is sourced from PubChem (CID 126896880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).