2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid

C15H17FN4O2 — CID 67241137

IUPAC2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid
SMILESCN1CCN(c2nc(CC(=O)O)c3c(F)cccc3n2)CC1
InChIInChI=1S/C15H17FN4O2/c1-19-5-7-20(8-6-19)15-17-11-4-2-3-10(16)14(11)12(18-15)9-13(21)22/h2-4H,5-9H2,1H3,(H,21,22)
InChIKeyKZKQEGMGVPWTMN-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.15
Rot. Bonds3

About 2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid

2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid (PubChem CID 67241137) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid
PubChem CID67241137
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid
SMILESCN1CCN(c2nc(CC(=O)O)c3c(F)cccc3n2)CC1
InChIInChI=1S/C15H17FN4O2/c1-19-5-7-20(8-6-19)15-17-11-4-2-3-10(16)14(11)12(18-15)9-13(21)22/h2-4H,5-9H2,1H3,(H,21,22)
InChIKeyKZKQEGMGVPWTMN-UHFFFAOYSA-N
XLogP1.15
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid?
The IUPAC name of 2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid (CID 67241137) is 2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid.
What is the SMILES notation for 2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid?
The canonical SMILES for 2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid is CN1CCN(c2nc(CC(=O)O)c3c(F)cccc3n2)CC1.
What is the InChIKey of 2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid?
The InChIKey is KZKQEGMGVPWTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-19-5-7-20(8-6-19)15-17-11-4-2-3-10(16)14(11)12(18-15)9-13(21)22/h2-4H,5-9H2,1H3,(H,21,22).
What are the key properties of 2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid?
2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid has a molecular weight of 304.32 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(4-methylpiperazin-1-yl)quinazolin-4-yl]acetic acid is sourced from PubChem (CID 67241137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).