(2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide

C20H20FN3O2 — CID 16723151

IUPAC(2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide
SMILESCC(C)c1nc2ccccc2c(=O)n1NC(=O)[C@@](C)(F)c1ccccc1
InChIInChI=1S/C20H20FN3O2/c1-13(2)17-22-16-12-8-7-11-15(16)18(25)24(17)23-19(26)20(3,21)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,23,26)/t20-/m0/s1
InChIKeyDQRAAFQFDCESKC-FQEVSTJZSA-N
MW353.40 g/mol
LogP3.47
Rot. Bonds4

About (2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide

(2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide (PubChem CID 16723151) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is (2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide
PubChem CID16723151
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name(2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide
SMILESCC(C)c1nc2ccccc2c(=O)n1NC(=O)[C@@](C)(F)c1ccccc1
InChIInChI=1S/C20H20FN3O2/c1-13(2)17-22-16-12-8-7-11-15(16)18(25)24(17)23-19(26)20(3,21)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,23,26)/t20-/m0/s1
InChIKeyDQRAAFQFDCESKC-FQEVSTJZSA-N
XLogP3.47
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide?
The IUPAC name of (2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide (CID 16723151) is (2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide.
What is the SMILES notation for (2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide?
The canonical SMILES for (2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide is CC(C)c1nc2ccccc2c(=O)n1NC(=O)[C@@](C)(F)c1ccccc1.
What is the InChIKey of (2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide?
The InChIKey is DQRAAFQFDCESKC-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-13(2)17-22-16-12-8-7-11-15(16)18(25)24(17)23-19(26)20(3,21)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,23,26)/t20-/m0/s1.
What are the key properties of (2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide?
(2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide has a molecular weight of 353.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoro-N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide is sourced from PubChem (CID 16723151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).