3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide

C21H19F4N3O2 — CID 70838804

IUPAC3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide
SMILESCCCc1nc2c(C(F)(F)F)cccc2c(=O)n1NC(=O)CCc1cccc(F)c1
InChIInChI=1S/C21H19F4N3O2/c1-2-5-17-26-19-15(8-4-9-16(19)21(23,24)25)20(30)28(17)27-18(29)11-10-13-6-3-7-14(22)12-13/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,27,29)
InChIKeyABOIZDBAWXWQKM-UHFFFAOYSA-N
MW421.39 g/mol
LogP4.21
Rot. Bonds6

About 3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide

3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide (PubChem CID 70838804) has the molecular formula C21H19F4N3O2 and a molecular weight of 421.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide
PubChem CID70838804
Molecular FormulaC21H19F4N3O2
Molecular Weight421.39 g/mol
Exact Mass421.14
IUPAC Name3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide
SMILESCCCc1nc2c(C(F)(F)F)cccc2c(=O)n1NC(=O)CCc1cccc(F)c1
InChIInChI=1S/C21H19F4N3O2/c1-2-5-17-26-19-15(8-4-9-16(19)21(23,24)25)20(30)28(17)27-18(29)11-10-13-6-3-7-14(22)12-13/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,27,29)
InChIKeyABOIZDBAWXWQKM-UHFFFAOYSA-N
XLogP4.21
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide (CID 70838804) is 3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide is CCCc1nc2c(C(F)(F)F)cccc2c(=O)n1NC(=O)CCc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide?
The InChIKey is ABOIZDBAWXWQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N3O2/c1-2-5-17-26-19-15(8-4-9-16(19)21(23,24)25)20(30)28(17)27-18(29)11-10-13-6-3-7-14(22)12-13/h3-4,6-9,12H,2,5,10-11H2,1H3,(H,27,29).
What are the key properties of 3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide?
3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide has a molecular weight of 421.39 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[4-oxo-2-propyl-8-(trifluoromethyl)quinazolin-3-yl]propanamide is sourced from PubChem (CID 70838804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).