2-[(4-fluorophenyl)methoxymethyl]-4-[2,4,6-tri(propan-2-yl)phenyl]quinazoline

C31H35FN2O — CID 141442328

IUPAC2-[(4-fluorophenyl)methoxymethyl]-4-[2,4,6-tri(propan-2-yl)phenyl]quinazoline
SMILESCC(C)c1cc(C(C)C)c(-c2nc(COCc3ccc(F)cc3)nc3ccccc23)c(C(C)C)c1
InChIInChI=1S/C31H35FN2O/c1-19(2)23-15-26(20(3)4)30(27(16-23)21(5)6)31-25-9-7-8-10-28(25)33-29(34-31)18-35-17-22-11-13-24(32)14-12-22/h7-16,19-21H,17-18H2,1-6H3
InChIKeyUOROZWNNQWQYGR-UHFFFAOYSA-N
MW470.63 g/mol
LogP8.52
Rot. Bonds8

About 2-[(4-fluorophenyl)methoxymethyl]-4-[2,4,6-tri(propan-2-yl)phenyl]quinazoline

2-[(4-fluorophenyl)methoxymethyl]-4-[2,4,6-tri(propan-2-yl)phenyl]quinazoline (PubChem CID 141442328) has the molecular formula C31H35FN2O and a molecular weight of 470.63 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxymethyl]-4-[2,4,6-tri(propan-2-yl)phenyl]quinazoline.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxymethyl]-4-[2,4,6-tri(propan-2-yl)phenyl]quinazoline
PubChem CID141442328
Molecular FormulaC31H35FN2O
Molecular Weight470.63 g/mol
Exact Mass470.27
IUPAC Name2-[(4-fluorophenyl)methoxymethyl]-4-[2,4,6-tri(propan-2-yl)phenyl]quinazoline
SMILESCC(C)c1cc(C(C)C)c(-c2nc(COCc3ccc(F)cc3)nc3ccccc23)c(C(C)C)c1
InChIInChI=1S/C31H35FN2O/c1-19(2)23-15-26(20(3)4)30(27(16-23)21(5)6)31-25-9-7-8-10-28(25)33-29(34-31)18-35-17-22-11-13-24(32)14-12-22/h7-16,19-21H,17-18H2,1-6H3
InChIKeyUOROZWNNQWQYGR-UHFFFAOYSA-N
XLogP8.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.63
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxymethyl]-4-[2,4,6-tri(propan-2-yl)phenyl]quinazoline?
The IUPAC name of 2-[(4-fluorophenyl)methoxymethyl]-4-[2,4,6-tri(propan-2-yl)phenyl]quinazoline (CID 141442328) is 2-[(4-fluorophenyl)methoxymethyl]-4-[2,4,6-tri(propan-2-yl)phenyl]quinazoline.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxymethyl]-4-[2,4,6-tri(propan-2-yl)phenyl]quinazoline?
The canonical SMILES for 2-[(4-fluorophenyl)methoxymethyl]-4-[2,4,6-tri(propan-2-yl)phenyl]quinazoline is CC(C)c1cc(C(C)C)c(-c2nc(COCc3ccc(F)cc3)nc3ccccc23)c(C(C)C)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxymethyl]-4-[2,4,6-tri(propan-2-yl)phenyl]quinazoline?
The InChIKey is UOROZWNNQWQYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN2O/c1-19(2)23-15-26(20(3)4)30(27(16-23)21(5)6)31-25-9-7-8-10-28(25)33-29(34-31)18-35-17-22-11-13-24(32)14-12-22/h7-16,19-21H,17-18H2,1-6H3.
What are the key properties of 2-[(4-fluorophenyl)methoxymethyl]-4-[2,4,6-tri(propan-2-yl)phenyl]quinazoline?
2-[(4-fluorophenyl)methoxymethyl]-4-[2,4,6-tri(propan-2-yl)phenyl]quinazoline has a molecular weight of 470.63 g/mol, XLogP of 8.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxymethyl]-4-[2,4,6-tri(propan-2-yl)phenyl]quinazoline is sourced from PubChem (CID 141442328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).