3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

C20H18F3N3O2 — CID 135815864

IUPAC3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O2/c1-12(13-5-4-6-14(11-13)20(21,22)23)24-18(27)10-9-17-25-16-8-3-2-7-15(16)19(28)26-17/h2-8,11-12H,9-10H2,1H3,(H,24,27)(H,25,26,28)/t12-/m0/s1
InChIKeyATFHIMWZGLELRO-LBPRGKRZSA-N
MW389.38 g/mol
LogP3.75
Rot. Bonds5

About 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 135815864) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID135815864
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3N3O2/c1-12(13-5-4-6-14(11-13)20(21,22)23)24-18(27)10-9-17-25-16-8-3-2-7-15(16)19(28)26-17/h2-8,11-12H,9-10H2,1H3,(H,24,27)(H,25,26,28)/t12-/m0/s1
InChIKeyATFHIMWZGLELRO-LBPRGKRZSA-N
XLogP3.75
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (CID 135815864) is 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is C[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is ATFHIMWZGLELRO-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c1-12(13-5-4-6-14(11-13)20(21,22)23)24-18(27)10-9-17-25-16-8-3-2-7-15(16)19(28)26-17/h2-8,11-12H,9-10H2,1H3,(H,24,27)(H,25,26,28)/t12-/m0/s1.
What are the key properties of 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 389.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 135815864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).