[5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone

C19H9ClF3N5O2 — CID 176774043

IUPAC[5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1nc(C(F)(F)F)nc2cccc(Oc3ncc(Cl)cn3)c12
InChIInChI=1S/C19H9ClF3N5O2/c20-11-8-25-18(26-9-11)30-13-3-1-2-12-14(13)15(28-17(27-12)19(21,22)23)16(29)10-4-6-24-7-5-10/h1-9H
InChIKeyACBFLUAOHUNNLV-UHFFFAOYSA-N
MW431.76 g/mol
LogP4.51
Rot. Bonds4

About [5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone

[5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone (PubChem CID 176774043) has the molecular formula C19H9ClF3N5O2 and a molecular weight of 431.76 g/mol. Its IUPAC name is [5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone
PubChem CID176774043
Molecular FormulaC19H9ClF3N5O2
Molecular Weight431.76 g/mol
Exact Mass431.04
IUPAC Name[5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)c1nc(C(F)(F)F)nc2cccc(Oc3ncc(Cl)cn3)c12
InChIInChI=1S/C19H9ClF3N5O2/c20-11-8-25-18(26-9-11)30-13-3-1-2-12-14(13)15(28-17(27-12)19(21,22)23)16(29)10-4-6-24-7-5-10/h1-9H
InChIKeyACBFLUAOHUNNLV-UHFFFAOYSA-N
XLogP4.51
TPSA90.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.76
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone?
The IUPAC name of [5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone (CID 176774043) is [5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone is O=C(c1ccncc1)c1nc(C(F)(F)F)nc2cccc(Oc3ncc(Cl)cn3)c12.
What is the InChIKey of [5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone?
The InChIKey is ACBFLUAOHUNNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9ClF3N5O2/c20-11-8-25-18(26-9-11)30-13-3-1-2-12-14(13)15(28-17(27-12)19(21,22)23)16(29)10-4-6-24-7-5-10/h1-9H.
What are the key properties of [5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone?
[5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone has a molecular weight of 431.76 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chloropyrimidin-2-yl)oxy-2-(trifluoromethyl)quinazolin-4-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 176774043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).