4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline

C16H16FN5 — CID 176978877

IUPAC4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline
SMILESCn1cc(-c2ccc3c(N4CCC(F)C4)ncnc3c2)cn1
InChIInChI=1S/C16H16FN5/c1-21-8-12(7-20-21)11-2-3-14-15(6-11)18-10-19-16(14)22-5-4-13(17)9-22/h2-3,6-8,10,13H,4-5,9H2,1H3
InChIKeyWKGGPPIGLXTSDJ-UHFFFAOYSA-N
MW297.34 g/mol
LogP2.58
Rot. Bonds2

About 4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline

4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline (PubChem CID 176978877) has the molecular formula C16H16FN5 and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline.

Molecular Properties

Compound Name4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline
PubChem CID176978877
Molecular FormulaC16H16FN5
Molecular Weight297.34 g/mol
Exact Mass297.14
IUPAC Name4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline
SMILESCn1cc(-c2ccc3c(N4CCC(F)C4)ncnc3c2)cn1
InChIInChI=1S/C16H16FN5/c1-21-8-12(7-20-21)11-2-3-14-15(6-11)18-10-19-16(14)22-5-4-13(17)9-22/h2-3,6-8,10,13H,4-5,9H2,1H3
InChIKeyWKGGPPIGLXTSDJ-UHFFFAOYSA-N
XLogP2.58
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline?
The IUPAC name of 4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline (CID 176978877) is 4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline.
What is the SMILES notation for 4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline?
The canonical SMILES for 4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline is Cn1cc(-c2ccc3c(N4CCC(F)C4)ncnc3c2)cn1.
What is the InChIKey of 4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline?
The InChIKey is WKGGPPIGLXTSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5/c1-21-8-12(7-20-21)11-2-3-14-15(6-11)18-10-19-16(14)22-5-4-13(17)9-22/h2-3,6-8,10,13H,4-5,9H2,1H3.
What are the key properties of 4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline?
4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline has a molecular weight of 297.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropyrrolidin-1-yl)-7-(1-methylpyrazol-4-yl)quinazoline is sourced from PubChem (CID 176978877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).