6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline

C24H30FN3 — CID 135127939

IUPAC6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline
SMILESCCCC1N=C(C2C=NCCC2)NC2=CCC(c3cccc(CC)c3F)C=C21
InChIInChI=1S/C24H30FN3/c1-3-7-21-20-14-17(19-10-5-8-16(4-2)23(19)25)11-12-22(20)28-24(27-21)18-9-6-13-26-15-18/h5,8,10,12,14-15,17-18,21H,3-4,6-7,9,11,13H2,1-2H3,(H,27,28)
InChIKeyGQZPJKMLTIZQPY-UHFFFAOYSA-N
MW379.52 g/mol
LogP5.34
Rot. Bonds5

About 6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline

6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline (PubChem CID 135127939) has the molecular formula C24H30FN3 and a molecular weight of 379.52 g/mol. Its IUPAC name is 6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline.

Molecular Properties

Compound Name6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline
PubChem CID135127939
Molecular FormulaC24H30FN3
Molecular Weight379.52 g/mol
Exact Mass379.24
IUPAC Name6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline
SMILESCCCC1N=C(C2C=NCCC2)NC2=CCC(c3cccc(CC)c3F)C=C21
InChIInChI=1S/C24H30FN3/c1-3-7-21-20-14-17(19-10-5-8-16(4-2)23(19)25)11-12-22(20)28-24(27-21)18-9-6-13-26-15-18/h5,8,10,12,14-15,17-18,21H,3-4,6-7,9,11,13H2,1-2H3,(H,27,28)
InChIKeyGQZPJKMLTIZQPY-UHFFFAOYSA-N
XLogP5.34
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.52
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline?
The IUPAC name of 6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline (CID 135127939) is 6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline.
What is the SMILES notation for 6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline?
The canonical SMILES for 6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline is CCCC1N=C(C2C=NCCC2)NC2=CCC(c3cccc(CC)c3F)C=C21.
What is the InChIKey of 6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline?
The InChIKey is GQZPJKMLTIZQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3/c1-3-7-21-20-14-17(19-10-5-8-16(4-2)23(19)25)11-12-22(20)28-24(27-21)18-9-6-13-26-15-18/h5,8,10,12,14-15,17-18,21H,3-4,6-7,9,11,13H2,1-2H3,(H,27,28).
What are the key properties of 6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline?
6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline has a molecular weight of 379.52 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethyl-2-fluorophenyl)-4-propyl-2-(2,3,4,5-tetrahydropyridin-5-yl)-1,4,6,7-tetrahydroquinazoline is sourced from PubChem (CID 135127939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).