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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Related Compounds

N-cyclopropyl-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-amine
CID 90095598
1-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylmethanamine
CID 142726238
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-8-methylquinazolin-4-amine
CID 118437878
6-[2-(3,4-difluorophenyl)-3-pyridinyl]quinazolin-4-amine
CID 90094988
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1,3-benzothiazole
CID 90094679
4-(3,4-difluorophenoxy)-6-methylquinazoline
CID 133425127
3-[6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-4-yl]oxy-N,N-dimethylpropan-1-amine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[2-(4-methylpiperazin-1-yl)ethoxy]quinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[3-(4-methylpiperazin-1-yl)propoxy]quinazoline;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline;1-[3-[6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]quinazolin-4-yl]oxypropyl]pyrrolidin-2-one
CID 159621308
6-[2-ethyl-4-(4-fluoro-3-methylphenyl)-1H-imidazol-5-yl]quinoline
CID 122510804
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 90095592
tris[[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]indazol-2-yl]methyl] phosphate
CID 90094866
6-[2-(5-chloro-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine
CID 90094571
6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-pyrazolo[4,5-b]pyridine
CID 90095810

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).