7-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline

C20H23FN2O2 — CID 66616373

IUPAC7-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CCC(C1OCCO1)C2
InChIInChI=1S/C20H23FN2O2/c1-12(2)19-22-17-11-14(20-24-9-10-25-20)5-8-16(17)18(23-19)13-3-6-15(21)7-4-13/h3-4,6-7,12,14,20H,5,8-11H2,1-2H3
InChIKeyIHHHUPRBYZSOCA-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.88
Rot. Bonds3

About 7-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline

7-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline (PubChem CID 66616373) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is 7-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name7-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline
PubChem CID66616373
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Name7-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline
SMILESCC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CCC(C1OCCO1)C2
InChIInChI=1S/C20H23FN2O2/c1-12(2)19-22-17-11-14(20-24-9-10-25-20)5-8-16(17)18(23-19)13-3-6-15(21)7-4-13/h3-4,6-7,12,14,20H,5,8-11H2,1-2H3
InChIKeyIHHHUPRBYZSOCA-UHFFFAOYSA-N
XLogP3.88
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 7-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline (CID 66616373) is 7-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 7-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 7-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline is CC(C)c1nc2c(c(-c3ccc(F)cc3)n1)CCC(C1OCCO1)C2.
What is the InChIKey of 7-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline?
The InChIKey is IHHHUPRBYZSOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c1-12(2)19-22-17-11-14(20-24-9-10-25-20)5-8-16(17)18(23-19)13-3-6-15(21)7-4-13/h3-4,6-7,12,14,20H,5,8-11H2,1-2H3.
What are the key properties of 7-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline?
7-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline has a molecular weight of 342.41 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dioxolan-2-yl)-4-(4-fluorophenyl)-2-propan-2-yl-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 66616373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).