2-[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]quinazoline

C20H13F2N3O — CID 67688502

IUPAC2-[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]quinazoline
SMILESCOc1cc(F)c(F)cc1-c1cccc(-c2ncc3ccccc3n2)n1
InChIInChI=1S/C20H13F2N3O/c1-26-19-10-15(22)14(21)9-13(19)17-7-4-8-18(24-17)20-23-11-12-5-2-3-6-16(12)25-20/h2-11H,1H3
InChIKeyMDNHUSRADQAWKI-UHFFFAOYSA-N
MW349.34 g/mol
LogP4.65
Rot. Bonds3

About 2-[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]quinazoline

2-[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]quinazoline (PubChem CID 67688502) has the molecular formula C20H13F2N3O and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]quinazoline.

Molecular Properties

Compound Name2-[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]quinazoline
PubChem CID67688502
Molecular FormulaC20H13F2N3O
Molecular Weight349.34 g/mol
Exact Mass349.10
IUPAC Name2-[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]quinazoline
SMILESCOc1cc(F)c(F)cc1-c1cccc(-c2ncc3ccccc3n2)n1
InChIInChI=1S/C20H13F2N3O/c1-26-19-10-15(22)14(21)9-13(19)17-7-4-8-18(24-17)20-23-11-12-5-2-3-6-16(12)25-20/h2-11H,1H3
InChIKeyMDNHUSRADQAWKI-UHFFFAOYSA-N
XLogP4.65
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]quinazoline?
The IUPAC name of 2-[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]quinazoline (CID 67688502) is 2-[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]quinazoline.
What is the SMILES notation for 2-[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]quinazoline?
The canonical SMILES for 2-[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]quinazoline is COc1cc(F)c(F)cc1-c1cccc(-c2ncc3ccccc3n2)n1.
What is the InChIKey of 2-[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]quinazoline?
The InChIKey is MDNHUSRADQAWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O/c1-26-19-10-15(22)14(21)9-13(19)17-7-4-8-18(24-17)20-23-11-12-5-2-3-6-16(12)25-20/h2-11H,1H3.
What are the key properties of 2-[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]quinazoline?
2-[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]quinazoline has a molecular weight of 349.34 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,5-difluoro-2-methoxyphenyl)-2-pyridinyl]quinazoline is sourced from PubChem (CID 67688502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).