3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one

C21H21N7O — CID 126897212

IUPAC3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
SMILESCc1nc(N2CCN(c3ccc4c(=O)n(C)cnc4c3)CC2)c2cccnc2n1
InChIInChI=1S/C21H21N7O/c1-14-24-19-17(4-3-7-22-19)20(25-14)28-10-8-27(9-11-28)15-5-6-16-18(12-15)23-13-26(2)21(16)29/h3-7,12-13H,8-11H2,1-2H3
InChIKeyKTYJCEOSNNOOBG-UHFFFAOYSA-N
MW387.45 g/mol
LogP1.91
Rot. Bonds2

About 3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one

3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one (PubChem CID 126897212) has the molecular formula C21H21N7O and a molecular weight of 387.45 g/mol. Its IUPAC name is 3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
PubChem CID126897212
Molecular FormulaC21H21N7O
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one
SMILESCc1nc(N2CCN(c3ccc4c(=O)n(C)cnc4c3)CC2)c2cccnc2n1
InChIInChI=1S/C21H21N7O/c1-14-24-19-17(4-3-7-22-19)20(25-14)28-10-8-27(9-11-28)15-5-6-16-18(12-15)23-13-26(2)21(16)29/h3-7,12-13H,8-11H2,1-2H3
InChIKeyKTYJCEOSNNOOBG-UHFFFAOYSA-N
XLogP1.91
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-methyl-2-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrido[2,3-d]pyrimidin-4-one
CID 126897211
3-[4-(3-methyl-4-oxoquinazolin-7-yl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 126896874
3-methyl-7-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]quinazolin-4-one
CID 126896954
3-methyl-7-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126896977
3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897138
2-[4-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]piperazin-1-yl]-3-methylpyrido[2,3-d]pyrimidin-4-one
CID 126899287
7-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896886
7-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896880
3-methyl-7-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126897077
3-methyl-7-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896972
3-methyl-7-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]quinazolin-4-one
CID 126896965
3-methyl-7-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126896916

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one (CID 126897212) is 3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one is Cc1nc(N2CCN(c3ccc4c(=O)n(C)cnc4c3)CC2)c2cccnc2n1.
What is the InChIKey of 3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one?
The InChIKey is KTYJCEOSNNOOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O/c1-14-24-19-17(4-3-7-22-19)20(25-14)28-10-8-27(9-11-28)15-5-6-16-18(12-15)23-13-26(2)21(16)29/h3-7,12-13H,8-11H2,1-2H3.
What are the key properties of 3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one?
3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one has a molecular weight of 387.45 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[4-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126897212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).