6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline

C29H19FN4O — CID 90094641

IUPAC6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline
SMILESCc1cc(-c2ncccc2-c2ccc3ncnc(Oc4ccc5ncccc5c4)c3c2)ccc1F
InChIInChI=1S/C29H19FN4O/c1-18-14-21(6-9-25(18)30)28-23(5-3-13-32-28)19-7-10-27-24(16-19)29(34-17-33-27)35-22-8-11-26-20(15-22)4-2-12-31-26/h2-17H,1H3
InChIKeyJOKWYKZENUFRBH-UHFFFAOYSA-N
MW458.50 g/mol
LogP7.15
Rot. Bonds4

About 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline

6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline (PubChem CID 90094641) has the molecular formula C29H19FN4O and a molecular weight of 458.50 g/mol. Its IUPAC name is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline.

Molecular Properties

Compound Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline
PubChem CID90094641
Molecular FormulaC29H19FN4O
Molecular Weight458.50 g/mol
Exact Mass458.15
IUPAC Name6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline
SMILESCc1cc(-c2ncccc2-c2ccc3ncnc(Oc4ccc5ncccc5c4)c3c2)ccc1F
InChIInChI=1S/C29H19FN4O/c1-18-14-21(6-9-25(18)30)28-23(5-3-13-32-28)19-7-10-27-24(16-19)29(34-17-33-27)35-22-8-11-26-20(15-22)4-2-12-31-26/h2-17H,1H3
InChIKeyJOKWYKZENUFRBH-UHFFFAOYSA-N
XLogP7.15
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.50
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline?
The IUPAC name of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline (CID 90094641) is 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline.
What is the SMILES notation for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline?
The canonical SMILES for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline is Cc1cc(-c2ncccc2-c2ccc3ncnc(Oc4ccc5ncccc5c4)c3c2)ccc1F.
What is the InChIKey of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline?
The InChIKey is JOKWYKZENUFRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19FN4O/c1-18-14-21(6-9-25(18)30)28-23(5-3-13-32-28)19-7-10-27-24(16-19)29(34-17-33-27)35-22-8-11-26-20(15-22)4-2-12-31-26/h2-17H,1H3.
What are the key properties of 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline?
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline has a molecular weight of 458.50 g/mol, XLogP of 7.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-quinolin-6-yloxyquinazoline is sourced from PubChem (CID 90094641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).