6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline

C25H16ClFN4O — CID 90094670

IUPAC6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline
SMILESCc1ccc(Oc2ncnc3ccc(-c4cccnc4-c4ccc(F)c(Cl)c4)cc23)cn1
InChIInChI=1S/C25H16ClFN4O/c1-15-4-7-18(13-29-15)32-25-20-11-16(6-9-23(20)30-14-31-25)19-3-2-10-28-24(19)17-5-8-22(27)21(26)12-17/h2-14H,1H3
InChIKeyUAZURUMZKOBDTD-UHFFFAOYSA-N
MW442.88 g/mol
LogP6.65
Rot. Bonds4

About 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline

6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline (PubChem CID 90094670) has the molecular formula C25H16ClFN4O and a molecular weight of 442.88 g/mol. Its IUPAC name is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline.

Molecular Properties

Compound Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline
PubChem CID90094670
Molecular FormulaC25H16ClFN4O
Molecular Weight442.88 g/mol
Exact Mass442.10
IUPAC Name6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline
SMILESCc1ccc(Oc2ncnc3ccc(-c4cccnc4-c4ccc(F)c(Cl)c4)cc23)cn1
InChIInChI=1S/C25H16ClFN4O/c1-15-4-7-18(13-29-15)32-25-20-11-16(6-9-23(20)30-14-31-25)19-3-2-10-28-24(19)17-5-8-22(27)21(26)12-17/h2-14H,1H3
InChIKeyUAZURUMZKOBDTD-UHFFFAOYSA-N
XLogP6.65
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.88
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline with MolForge

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Related Compounds

8-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 10316876
8-(6-Chloropyrimidin-4-yl)oxyquinoline
CID 57600071
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
6-Fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline
CID 127044078
6-(6-Methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazolin-2-amine
CID 145951752
6-(5-Fluoro-6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazolin-2-amine
CID 145955956
5-(2-chloro-5-(trifluoromethyl)pyridin-4-yl)-4-(((1S,2S)-2-(5-methoxypyridin-2-yl)cyclopropyl)methoxy)-2-methylpyrimidine
CID 76283029
3-({6-[4-(Trifluoromethyl)phenyl]pyrimidin-4-yl}oxy)quinoline
CID 16748084
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(5-methyl-6-morpholin-4-yl-3-pyridinyl)quinazolin-4-amine
CID 127035117
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(4-morpholin-4-ylpyrimidin-2-yl)quinazolin-4-amine
CID 145952005
N-[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]-6-(2-morpholin-4-ylpyrimidin-4-yl)quinazolin-4-amine
CID 145974775
6-(6-Methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yloxy)quinazoline
CID 155540675

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline?
The IUPAC name of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline (CID 90094670) is 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline.
What is the SMILES notation for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline?
The canonical SMILES for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline is Cc1ccc(Oc2ncnc3ccc(-c4cccnc4-c4ccc(F)c(Cl)c4)cc23)cn1.
What is the InChIKey of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline?
The InChIKey is UAZURUMZKOBDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClFN4O/c1-15-4-7-18(13-29-15)32-25-20-11-16(6-9-23(20)30-14-31-25)19-3-2-10-28-24(19)17-5-8-22(27)21(26)12-17/h2-14H,1H3.
What are the key properties of 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline?
6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline has a molecular weight of 442.88 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-4-[(6-methyl-3-pyridinyl)oxy]quinazoline is sourced from PubChem (CID 90094670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).