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

C20H21N3O2 — CID 23736175

IUPACN-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide
SMILESCC(C)c1nc2ccccc2c(=O)n1NC(=O)C(C)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-13(2)18-21-17-12-8-7-11-16(17)20(25)23(18)22-19(24)14(3)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,22,24)
InChIKeyOROKJPUPTSURJR-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.39
Rot. Bonds4

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

N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide (PubChem CID 23736175) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide
PubChem CID23736175
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide
SMILESCC(C)c1nc2ccccc2c(=O)n1NC(=O)C(C)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-13(2)18-21-17-12-8-7-11-16(17)20(25)23(18)22-19(24)14(3)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,22,24)
InChIKeyOROKJPUPTSURJR-UHFFFAOYSA-N
XLogP3.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide?
The IUPAC name of N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide (CID 23736175) is N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide.
What is the SMILES notation for N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide?
The canonical SMILES for N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide is CC(C)c1nc2ccccc2c(=O)n1NC(=O)C(C)c1ccccc1.
What is the InChIKey of N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide?
The InChIKey is OROKJPUPTSURJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13(2)18-21-17-12-8-7-11-16(17)20(25)23(18)22-19(24)14(3)15-9-5-4-6-10-15/h4-14H,1-3H3,(H,22,24).
What are the key properties of N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide?
N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide has a molecular weight of 335.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-propan-2-ylquinazolin-3-yl)-2-phenylpropanamide is sourced from PubChem (CID 23736175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).