2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide

C16H21N5O2 — CID 57481624

IUPAC2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide
SMILESCOc1ccc2nc(N3CCN(C)CC3)nc(CC(N)=O)c2c1
InChIInChI=1S/C16H21N5O2/c1-20-5-7-21(8-6-20)16-18-13-4-3-11(23-2)9-12(13)14(19-16)10-15(17)22/h3-4,9H,5-8,10H2,1-2H3,(H2,17,22)
InChIKeyXZWNRTJWQABHJP-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.42
Rot. Bonds4

About 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide

2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide (PubChem CID 57481624) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide.

Molecular Properties

Compound Name2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide
PubChem CID57481624
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide
SMILESCOc1ccc2nc(N3CCN(C)CC3)nc(CC(N)=O)c2c1
InChIInChI=1S/C16H21N5O2/c1-20-5-7-21(8-6-20)16-18-13-4-3-11(23-2)9-12(13)14(19-16)10-15(17)22/h3-4,9H,5-8,10H2,1-2H3,(H2,17,22)
InChIKeyXZWNRTJWQABHJP-UHFFFAOYSA-N
XLogP0.42
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide?
The IUPAC name of 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide (CID 57481624) is 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide.
What is the SMILES notation for 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide?
The canonical SMILES for 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide is COc1ccc2nc(N3CCN(C)CC3)nc(CC(N)=O)c2c1.
What is the InChIKey of 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide?
The InChIKey is XZWNRTJWQABHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-20-5-7-21(8-6-20)16-18-13-4-3-11(23-2)9-12(13)14(19-16)10-15(17)22/h3-4,9H,5-8,10H2,1-2H3,(H2,17,22).
What are the key properties of 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide?
2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide has a molecular weight of 315.38 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methoxy-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetamide is sourced from PubChem (CID 57481624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).