2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide

C22H25N3O5 — CID 110206981

IUPAC2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
SMILESCOc1cc2nc(C)n(CC(=O)N[C@H](CO)Cc3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C22H25N3O5/c1-14-23-18-11-20(30-3)19(29-2)10-17(18)22(28)25(14)12-21(27)24-16(13-26)9-15-7-5-4-6-8-15/h4-8,10-11,16,26H,9,12-13H2,1-3H3,(H,24,27)/t16-/m0/s1
InChIKeyJJTPIVJDGVRRGL-INIZCTEOSA-N
MW411.46 g/mol
LogP1.44
Rot. Bonds8

About 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide

2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide (PubChem CID 110206981) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
PubChem CID110206981
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
SMILESCOc1cc2nc(C)n(CC(=O)N[C@H](CO)Cc3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C22H25N3O5/c1-14-23-18-11-20(30-3)19(29-2)10-17(18)22(28)25(14)12-21(27)24-16(13-26)9-15-7-5-4-6-8-15/h4-8,10-11,16,26H,9,12-13H2,1-3H3,(H,24,27)/t16-/m0/s1
InChIKeyJJTPIVJDGVRRGL-INIZCTEOSA-N
XLogP1.44
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The IUPAC name of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide (CID 110206981) is 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The canonical SMILES for 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide is COc1cc2nc(C)n(CC(=O)N[C@H](CO)Cc3ccccc3)c(=O)c2cc1OC.
What is the InChIKey of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
The InChIKey is JJTPIVJDGVRRGL-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-14-23-18-11-20(30-3)19(29-2)10-17(18)22(28)25(14)12-21(27)24-16(13-26)9-15-7-5-4-6-8-15/h4-8,10-11,16,26H,9,12-13H2,1-3H3,(H,24,27)/t16-/m0/s1.
What are the key properties of 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide?
2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide has a molecular weight of 411.46 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide is sourced from PubChem (CID 110206981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).