1-(2-cyclopropyl-4-fluorophenyl)-3-(6-methoxy-2-methyl-3-pyridinyl)-2H-quinazolin-4-one

C24H22FN3O2 — CID 155452345

IUPAC1-(2-cyclopropyl-4-fluorophenyl)-3-(6-methoxy-2-methyl-3-pyridinyl)-2H-quinazolin-4-one
SMILESCOc1ccc(N2CN(c3ccc(F)cc3C3CC3)c3ccccc3C2=O)c(C)n1
InChIInChI=1S/C24H22FN3O2/c1-15-20(11-12-23(26-15)30-2)28-14-27(21-6-4-3-5-18(21)24(28)29)22-10-9-17(25)13-19(22)16-7-8-16/h3-6,9-13,16H,7-8,14H2,1-2H3
InChIKeyFPRRLKJJOQXRJG-UHFFFAOYSA-N
MW403.46 g/mol
LogP5.17
Rot. Bonds4

About 1-(2-cyclopropyl-4-fluorophenyl)-3-(6-methoxy-2-methyl-3-pyridinyl)-2H-quinazolin-4-one

1-(2-cyclopropyl-4-fluorophenyl)-3-(6-methoxy-2-methyl-3-pyridinyl)-2H-quinazolin-4-one (PubChem CID 155452345) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-(2-cyclopropyl-4-fluorophenyl)-3-(6-methoxy-2-methyl-3-pyridinyl)-2H-quinazolin-4-one.

Molecular Properties

Compound Name1-(2-cyclopropyl-4-fluorophenyl)-3-(6-methoxy-2-methyl-3-pyridinyl)-2H-quinazolin-4-one
PubChem CID155452345
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name1-(2-cyclopropyl-4-fluorophenyl)-3-(6-methoxy-2-methyl-3-pyridinyl)-2H-quinazolin-4-one
SMILESCOc1ccc(N2CN(c3ccc(F)cc3C3CC3)c3ccccc3C2=O)c(C)n1
InChIInChI=1S/C24H22FN3O2/c1-15-20(11-12-23(26-15)30-2)28-14-27(21-6-4-3-5-18(21)24(28)29)22-10-9-17(25)13-19(22)16-7-8-16/h3-6,9-13,16H,7-8,14H2,1-2H3
InChIKeyFPRRLKJJOQXRJG-UHFFFAOYSA-N
XLogP5.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-4-fluorophenyl)-3-(6-methoxy-2-methyl-3-pyridinyl)-2H-quinazolin-4-one?
The IUPAC name of 1-(2-cyclopropyl-4-fluorophenyl)-3-(6-methoxy-2-methyl-3-pyridinyl)-2H-quinazolin-4-one (CID 155452345) is 1-(2-cyclopropyl-4-fluorophenyl)-3-(6-methoxy-2-methyl-3-pyridinyl)-2H-quinazolin-4-one.
What is the SMILES notation for 1-(2-cyclopropyl-4-fluorophenyl)-3-(6-methoxy-2-methyl-3-pyridinyl)-2H-quinazolin-4-one?
The canonical SMILES for 1-(2-cyclopropyl-4-fluorophenyl)-3-(6-methoxy-2-methyl-3-pyridinyl)-2H-quinazolin-4-one is COc1ccc(N2CN(c3ccc(F)cc3C3CC3)c3ccccc3C2=O)c(C)n1.
What is the InChIKey of 1-(2-cyclopropyl-4-fluorophenyl)-3-(6-methoxy-2-methyl-3-pyridinyl)-2H-quinazolin-4-one?
The InChIKey is FPRRLKJJOQXRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-15-20(11-12-23(26-15)30-2)28-14-27(21-6-4-3-5-18(21)24(28)29)22-10-9-17(25)13-19(22)16-7-8-16/h3-6,9-13,16H,7-8,14H2,1-2H3.
What are the key properties of 1-(2-cyclopropyl-4-fluorophenyl)-3-(6-methoxy-2-methyl-3-pyridinyl)-2H-quinazolin-4-one?
1-(2-cyclopropyl-4-fluorophenyl)-3-(6-methoxy-2-methyl-3-pyridinyl)-2H-quinazolin-4-one has a molecular weight of 403.46 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-4-fluorophenyl)-3-(6-methoxy-2-methyl-3-pyridinyl)-2H-quinazolin-4-one is sourced from PubChem (CID 155452345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).