7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one

C20H13F3N4O — CID 10045425

IUPAC7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one
SMILESO=c1ccc2ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cc2[nH]1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)14-5-1-12(2-6-14)16-10-18(25-11-24-16)26-15-7-3-13-4-8-19(28)27-17(13)9-15/h1-11H,(H,27,28)(H,24,25,26)
InChIKeyUWNAEPYAUOFGML-UHFFFAOYSA-N
MW382.35 g/mol
LogP4.75
Rot. Bonds3

About 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one

7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one (PubChem CID 10045425) has the molecular formula C20H13F3N4O and a molecular weight of 382.35 g/mol. Its IUPAC name is 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one.

Molecular Properties

Compound Name7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one
PubChem CID10045425
Molecular FormulaC20H13F3N4O
Molecular Weight382.35 g/mol
Exact Mass382.10
IUPAC Name7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one
SMILESO=c1ccc2ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cc2[nH]1
InChIInChI=1S/C20H13F3N4O/c21-20(22,23)14-5-1-12(2-6-14)16-10-18(25-11-24-16)26-15-7-3-13-4-8-19(28)27-17(13)9-15/h1-11H,(H,27,28)(H,24,25,26)
InChIKeyUWNAEPYAUOFGML-UHFFFAOYSA-N
XLogP4.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.35
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one?
The IUPAC name of 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one (CID 10045425) is 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one.
What is the SMILES notation for 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one?
The canonical SMILES for 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one is O=c1ccc2ccc(Nc3cc(-c4ccc(C(F)(F)F)cc4)ncn3)cc2[nH]1.
What is the InChIKey of 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one?
The InChIKey is UWNAEPYAUOFGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4O/c21-20(22,23)14-5-1-12(2-6-14)16-10-18(25-11-24-16)26-15-7-3-13-4-8-19(28)27-17(13)9-15/h1-11H,(H,27,28)(H,24,25,26).
What are the key properties of 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one?
7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one has a molecular weight of 382.35 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1H-quinolin-2-one is sourced from PubChem (CID 10045425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).