2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

C20H23N3O3 — CID 94065470

IUPAC2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc(C)ccc1OC
InChIInChI=1S/C20H23N3O3/c1-13-9-10-17(26-4)15(11-13)19-22(3)20(25)14-7-5-6-8-16(14)23(19)12-18(24)21-2/h5-11,19H,12H2,1-4H3,(H,21,24)/t19-/m1/s1
InChIKeyFVJOHQYMVGSPLC-LJQANCHMSA-N
MW353.42 g/mol
LogP2.34
Rot. Bonds4

About 2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide

2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (PubChem CID 94065470) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
PubChem CID94065470
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide
SMILESCNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc(C)ccc1OC
InChIInChI=1S/C20H23N3O3/c1-13-9-10-17(26-4)15(11-13)19-22(3)20(25)14-7-5-6-8-16(14)23(19)12-18(24)21-2/h5-11,19H,12H2,1-4H3,(H,21,24)/t19-/m1/s1
InChIKeyFVJOHQYMVGSPLC-LJQANCHMSA-N
XLogP2.34
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The IUPAC name of 2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide (CID 94065470) is 2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is CNC(=O)CN1c2ccccc2C(=O)N(C)[C@H]1c1cc(C)ccc1OC.
What is the InChIKey of 2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
The InChIKey is FVJOHQYMVGSPLC-LJQANCHMSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-13-9-10-17(26-4)15(11-13)19-22(3)20(25)14-7-5-6-8-16(14)23(19)12-18(24)21-2/h5-11,19H,12H2,1-4H3,(H,21,24)/t19-/m1/s1.
What are the key properties of 2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide?
2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide has a molecular weight of 353.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(2-methoxy-5-methylphenyl)-3-methyl-4-oxo-2H-quinazolin-1-yl]-N-methylacetamide is sourced from PubChem (CID 94065470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).