4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline

C23H24N6O — CID 22031947

IUPAC4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
SMILESCOc1ccc(CN2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)cc1
InChIInChI=1S/C23H24N6O/c1-30-20-5-2-17(3-6-20)15-28-8-10-29(11-9-28)23-21-12-18(19-13-26-27-14-19)4-7-22(21)24-16-25-23/h2-7,12-14,16H,8-11,15H2,1H3,(H,26,27)
InChIKeyWXYKDUOQRHYMRG-UHFFFAOYSA-N
MW400.49 g/mol
LogP3.35
Rot. Bonds5

About 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline

4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline (PubChem CID 22031947) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline.

Molecular Properties

Compound Name4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
PubChem CID22031947
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline
SMILESCOc1ccc(CN2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)cc1
InChIInChI=1S/C23H24N6O/c1-30-20-5-2-17(3-6-20)15-28-8-10-29(11-9-28)23-21-12-18(19-13-26-27-14-19)4-7-22(21)24-16-25-23/h2-7,12-14,16H,8-11,15H2,1H3,(H,26,27)
InChIKeyWXYKDUOQRHYMRG-UHFFFAOYSA-N
XLogP3.35
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline?
The IUPAC name of 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline (CID 22031947) is 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline.
What is the SMILES notation for 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline?
The canonical SMILES for 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline is COc1ccc(CN2CCN(c3ncnc4ccc(-c5cn[nH]c5)cc34)CC2)cc1.
What is the InChIKey of 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline?
The InChIKey is WXYKDUOQRHYMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-30-20-5-2-17(3-6-20)15-28-8-10-29(11-9-28)23-21-12-18(19-13-26-27-14-19)4-7-22(21)24-16-25-23/h2-7,12-14,16H,8-11,15H2,1H3,(H,26,27).
What are the key properties of 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline?
4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline has a molecular weight of 400.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-(1H-pyrazol-4-yl)quinazoline is sourced from PubChem (CID 22031947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).