3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one

C14H17N5O — CID 80833936

IUPAC3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one
SMILESCNc1nc(N2CCNC(=O)C2C)c2ccccc2n1
InChIInChI=1S/C14H17N5O/c1-9-13(20)16-7-8-19(9)12-10-5-3-4-6-11(10)17-14(15-2)18-12/h3-6,9H,7-8H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeyQFOPSIFDQQORNQ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.00
Rot. Bonds2

About 3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one

3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one (PubChem CID 80833936) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one.

Molecular Properties

Compound Name3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one
PubChem CID80833936
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one
SMILESCNc1nc(N2CCNC(=O)C2C)c2ccccc2n1
InChIInChI=1S/C14H17N5O/c1-9-13(20)16-7-8-19(9)12-10-5-3-4-6-11(10)17-14(15-2)18-12/h3-6,9H,7-8H2,1-2H3,(H,16,20)(H,15,17,18)
InChIKeyQFOPSIFDQQORNQ-UHFFFAOYSA-N
XLogP1.00
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one?
The IUPAC name of 3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one (CID 80833936) is 3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one.
What is the SMILES notation for 3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one?
The canonical SMILES for 3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one is CNc1nc(N2CCNC(=O)C2C)c2ccccc2n1.
What is the InChIKey of 3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one?
The InChIKey is QFOPSIFDQQORNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-9-13(20)16-7-8-19(9)12-10-5-3-4-6-11(10)17-14(15-2)18-12/h3-6,9H,7-8H2,1-2H3,(H,16,20)(H,15,17,18).
What are the key properties of 3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one?
3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one is sourced from PubChem (CID 80833936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).