6-[2-(2-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine

C20H14ClFN4O — CID 118437887

IUPAC6-[2-(2-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCOc1cc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c(Cl)cc1F
InChIInChI=1S/C20H14ClFN4O/c1-27-18-8-13(15(21)9-16(18)22)19-12(3-2-6-24-19)11-4-5-17-14(7-11)20(23)26-10-25-17/h2-10H,1H3,(H2,23,25,26)
InChIKeyIYTUJFGOUMLIAO-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.74
Rot. Bonds3

About 6-[2-(2-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine

6-[2-(2-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 118437887) has the molecular formula C20H14ClFN4O and a molecular weight of 380.81 g/mol. Its IUPAC name is 6-[2-(2-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-[2-(2-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID118437887
Molecular FormulaC20H14ClFN4O
Molecular Weight380.81 g/mol
Exact Mass380.08
IUPAC Name6-[2-(2-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCOc1cc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c(Cl)cc1F
InChIInChI=1S/C20H14ClFN4O/c1-27-18-8-13(15(21)9-16(18)22)19-12(3-2-6-24-19)11-4-5-17-14(7-11)20(23)26-10-25-17/h2-10H,1H3,(H2,23,25,26)
InChIKeyIYTUJFGOUMLIAO-UHFFFAOYSA-N
XLogP4.74
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 6-[2-(2-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine (CID 118437887) is 6-[2-(2-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 6-[2-(2-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 6-[2-(2-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine is COc1cc(-c2ncccc2-c2ccc3ncnc(N)c3c2)c(Cl)cc1F.
What is the InChIKey of 6-[2-(2-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is IYTUJFGOUMLIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O/c1-27-18-8-13(15(21)9-16(18)22)19-12(3-2-6-24-19)11-4-5-17-14(7-11)20(23)26-10-25-17/h2-10H,1H3,(H2,23,25,26).
What are the key properties of 6-[2-(2-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine?
6-[2-(2-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 380.81 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 118437887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).