6-chloro-N-(3-fluorophenyl)-7-(pyridin-4-ylmethoxy)quinazolin-2-amine

C20H14ClFN4O — CID 70864167

IUPAC6-chloro-N-(3-fluorophenyl)-7-(pyridin-4-ylmethoxy)quinazolin-2-amine
SMILESFc1cccc(Nc2ncc3cc(Cl)c(OCc4ccncc4)cc3n2)c1
InChIInChI=1S/C20H14ClFN4O/c21-17-8-14-11-24-20(25-16-3-1-2-15(22)9-16)26-18(14)10-19(17)27-12-13-4-6-23-7-5-13/h1-11H,12H2,(H,24,25,26)
InChIKeyTZNPTRQNUJIVDQ-UHFFFAOYSA-N
MW380.81 g/mol
LogP5.14
Rot. Bonds5

About 6-chloro-N-(3-fluorophenyl)-7-(pyridin-4-ylmethoxy)quinazolin-2-amine

6-chloro-N-(3-fluorophenyl)-7-(pyridin-4-ylmethoxy)quinazolin-2-amine (PubChem CID 70864167) has the molecular formula C20H14ClFN4O and a molecular weight of 380.81 g/mol. Its IUPAC name is 6-chloro-N-(3-fluorophenyl)-7-(pyridin-4-ylmethoxy)quinazolin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(3-fluorophenyl)-7-(pyridin-4-ylmethoxy)quinazolin-2-amine
PubChem CID70864167
Molecular FormulaC20H14ClFN4O
Molecular Weight380.81 g/mol
Exact Mass380.08
IUPAC Name6-chloro-N-(3-fluorophenyl)-7-(pyridin-4-ylmethoxy)quinazolin-2-amine
SMILESFc1cccc(Nc2ncc3cc(Cl)c(OCc4ccncc4)cc3n2)c1
InChIInChI=1S/C20H14ClFN4O/c21-17-8-14-11-24-20(25-16-3-1-2-15(22)9-16)26-18(14)10-19(17)27-12-13-4-6-23-7-5-13/h1-11H,12H2,(H,24,25,26)
InChIKeyTZNPTRQNUJIVDQ-UHFFFAOYSA-N
XLogP5.14
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.81
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-fluorophenyl)-7-(pyridin-4-ylmethoxy)quinazolin-2-amine?
The IUPAC name of 6-chloro-N-(3-fluorophenyl)-7-(pyridin-4-ylmethoxy)quinazolin-2-amine (CID 70864167) is 6-chloro-N-(3-fluorophenyl)-7-(pyridin-4-ylmethoxy)quinazolin-2-amine.
What is the SMILES notation for 6-chloro-N-(3-fluorophenyl)-7-(pyridin-4-ylmethoxy)quinazolin-2-amine?
The canonical SMILES for 6-chloro-N-(3-fluorophenyl)-7-(pyridin-4-ylmethoxy)quinazolin-2-amine is Fc1cccc(Nc2ncc3cc(Cl)c(OCc4ccncc4)cc3n2)c1.
What is the InChIKey of 6-chloro-N-(3-fluorophenyl)-7-(pyridin-4-ylmethoxy)quinazolin-2-amine?
The InChIKey is TZNPTRQNUJIVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O/c21-17-8-14-11-24-20(25-16-3-1-2-15(22)9-16)26-18(14)10-19(17)27-12-13-4-6-23-7-5-13/h1-11H,12H2,(H,24,25,26).
What are the key properties of 6-chloro-N-(3-fluorophenyl)-7-(pyridin-4-ylmethoxy)quinazolin-2-amine?
6-chloro-N-(3-fluorophenyl)-7-(pyridin-4-ylmethoxy)quinazolin-2-amine has a molecular weight of 380.81 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-fluorophenyl)-7-(pyridin-4-ylmethoxy)quinazolin-2-amine is sourced from PubChem (CID 70864167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).