7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline

C16H15FN6 — CID 154830107

IUPAC7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline
SMILESFc1ccc2c(N3CCN(c4ccncn4)CC3)ncnc2c1
InChIInChI=1S/C16H15FN6/c17-12-1-2-13-14(9-12)19-11-21-16(13)23-7-5-22(6-8-23)15-3-4-18-10-20-15/h1-4,9-11H,5-8H2
InChIKeyQZYHNZNEVDWOLG-UHFFFAOYSA-N
MW310.34 g/mol
LogP1.89
Rot. Bonds2

About 7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline

7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline (PubChem CID 154830107) has the molecular formula C16H15FN6 and a molecular weight of 310.34 g/mol. Its IUPAC name is 7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline
PubChem CID154830107
Molecular FormulaC16H15FN6
Molecular Weight310.34 g/mol
Exact Mass310.13
IUPAC Name7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline
SMILESFc1ccc2c(N3CCN(c4ccncn4)CC3)ncnc2c1
InChIInChI=1S/C16H15FN6/c17-12-1-2-13-14(9-12)19-11-21-16(13)23-7-5-22(6-8-23)15-3-4-18-10-20-15/h1-4,9-11H,5-8H2
InChIKeyQZYHNZNEVDWOLG-UHFFFAOYSA-N
XLogP1.89
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-6-yl]pyridin-2-amine
CID 170641489
4-[4-[(5-bromo-3-pyridinyl)methyl]piperazin-1-yl]-7-fluoroquinazoline
CID 166601671
6-fluoro-4-(4-pyridin-4-ylpiperidin-1-yl)quinazoline
CID 126810422
7-fluoro-4-[4-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]quinazoline
CID 171334705
7-fluoro-4-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]quinazoline
CID 126892462
N,N-dimethyl-6-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-amine
CID 126895928
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
3-methyl-7-(4-pyrimidin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897138
N-[1-(7-fluoroquinazolin-4-yl)pyrrolidin-3-yl]-N,4-dimethylpyrimidin-2-amine
CID 171998007
(3R)-1-(7-fluoroquinazolin-4-yl)-3-(2-methylphenyl)pyrrolidin-3-ol
CID 97126187
2,4-difluoro-N-(4-morpholin-4-ylquinazolin-7-yl)benzamide
CID 53137509

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline?
The IUPAC name of 7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline (CID 154830107) is 7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline?
The canonical SMILES for 7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline is Fc1ccc2c(N3CCN(c4ccncn4)CC3)ncnc2c1.
What is the InChIKey of 7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline?
The InChIKey is QZYHNZNEVDWOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN6/c17-12-1-2-13-14(9-12)19-11-21-16(13)23-7-5-22(6-8-23)15-3-4-18-10-20-15/h1-4,9-11H,5-8H2.
What are the key properties of 7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline?
7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline has a molecular weight of 310.34 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(4-pyrimidin-4-ylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 154830107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).