6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline

C23H19N3O — CID 90094597

IUPAC6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline
SMILESCOc1ncnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12
InChIInChI=1S/C23H19N3O/c1-27-23-20-13-17(9-10-21(20)25-14-26-23)19-6-3-11-24-22(19)18-5-2-4-16(12-18)15-7-8-15/h2-6,9-15H,7-8H2,1H3
InChIKeyKKGQIYDIOBWZJH-UHFFFAOYSA-N
MW353.43 g/mol
LogP5.24
Rot. Bonds4

About 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline

6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline (PubChem CID 90094597) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline.

Molecular Properties

Compound Name6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline
PubChem CID90094597
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline
SMILESCOc1ncnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12
InChIInChI=1S/C23H19N3O/c1-27-23-20-13-17(9-10-21(20)25-14-26-23)19-6-3-11-24-22(19)18-5-2-4-16(12-18)15-7-8-15/h2-6,9-15H,7-8H2,1H3
InChIKeyKKGQIYDIOBWZJH-UHFFFAOYSA-N
XLogP5.24
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline?
The IUPAC name of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline (CID 90094597) is 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline.
What is the SMILES notation for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline?
The canonical SMILES for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline is COc1ncnc2ccc(-c3cccnc3-c3cccc(C4CC4)c3)cc12.
What is the InChIKey of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline?
The InChIKey is KKGQIYDIOBWZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-27-23-20-13-17(9-10-21(20)25-14-26-23)19-6-3-11-24-22(19)18-5-2-4-16(12-18)15-7-8-15/h2-6,9-15H,7-8H2,1H3.
What are the key properties of 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline?
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline has a molecular weight of 353.43 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-4-methoxyquinazoline is sourced from PubChem (CID 90094597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).