2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine

C20H22FN5O2 — CID 71683147

IUPAC2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(N3CCN(c4ccccc4F)CC3)nc(N)c2cc1OC
InChIInChI=1S/C20H22FN5O2/c1-27-17-11-13-15(12-18(17)28-2)23-20(24-19(13)22)26-9-7-25(8-10-26)16-6-4-3-5-14(16)21/h3-6,11-12H,7-10H2,1-2H3,(H2,22,23,24)
InChIKeyYHFBAORCFTYISG-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.69
Rot. Bonds4

About 2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine

2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine (PubChem CID 71683147) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine.

Molecular Properties

Compound Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
PubChem CID71683147
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
SMILESCOc1cc2nc(N3CCN(c4ccccc4F)CC3)nc(N)c2cc1OC
InChIInChI=1S/C20H22FN5O2/c1-27-17-11-13-15(12-18(17)28-2)23-20(24-19(13)22)26-9-7-25(8-10-26)16-6-4-3-5-14(16)21/h3-6,11-12H,7-10H2,1-2H3,(H2,22,23,24)
InChIKeyYHFBAORCFTYISG-UHFFFAOYSA-N
XLogP2.69
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The IUPAC name of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine (CID 71683147) is 2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine.
What is the SMILES notation for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The canonical SMILES for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine is COc1cc2nc(N3CCN(c4ccccc4F)CC3)nc(N)c2cc1OC.
What is the InChIKey of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
The InChIKey is YHFBAORCFTYISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c1-27-17-11-13-15(12-18(17)28-2)23-20(24-19(13)22)26-9-7-25(8-10-26)16-6-4-3-5-14(16)21/h3-6,11-12H,7-10H2,1-2H3,(H2,22,23,24).
What are the key properties of 2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine?
2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine has a molecular weight of 383.43 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine is sourced from PubChem (CID 71683147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).