4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline

C21H22F2N4 — CID 11474113

IUPAC4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline
SMILESCC(C)C1CNCCN1c1nc(-c2ccc(F)cc2F)c2ccccc2n1
InChIInChI=1S/C21H22F2N4/c1-13(2)19-12-24-9-10-27(19)21-25-18-6-4-3-5-16(18)20(26-21)15-8-7-14(22)11-17(15)23/h3-8,11,13,19,24H,9-10,12H2,1-2H3
InChIKeyWHXOIQDTNMCJHI-UHFFFAOYSA-N
MW368.43 g/mol
LogP4.01
Rot. Bonds3

About 4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline

4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline (PubChem CID 11474113) has the molecular formula C21H22F2N4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline
PubChem CID11474113
Molecular FormulaC21H22F2N4
Molecular Weight368.43 g/mol
Exact Mass368.18
IUPAC Name4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline
SMILESCC(C)C1CNCCN1c1nc(-c2ccc(F)cc2F)c2ccccc2n1
InChIInChI=1S/C21H22F2N4/c1-13(2)19-12-24-9-10-27(19)21-25-18-6-4-3-5-16(18)20(26-21)15-8-7-14(22)11-17(15)23/h3-8,11,13,19,24H,9-10,12H2,1-2H3
InChIKeyWHXOIQDTNMCJHI-UHFFFAOYSA-N
XLogP4.01
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline?
The IUPAC name of 4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline (CID 11474113) is 4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline is CC(C)C1CNCCN1c1nc(-c2ccc(F)cc2F)c2ccccc2n1.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline?
The InChIKey is WHXOIQDTNMCJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4/c1-13(2)19-12-24-9-10-27(19)21-25-18-6-4-3-5-16(18)20(26-21)15-8-7-14(22)11-17(15)23/h3-8,11,13,19,24H,9-10,12H2,1-2H3.
What are the key properties of 4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline?
4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline has a molecular weight of 368.43 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-(2-propan-2-ylpiperazin-1-yl)quinazoline is sourced from PubChem (CID 11474113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).