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

C18H25N3O5 — CID 91638290

IUPAC2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide
SMILESCC[C@@H](C)[C@@H](CO)NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C18H25N3O5/c1-5-11(2)14(9-22)20-17(23)8-21-10-19-13-7-16(26-4)15(25-3)6-12(13)18(21)24/h6-7,10-11,14,22H,5,8-9H2,1-4H3,(H,20,23)/t11-,14-/m1/s1
InChIKeyUHRMVMANMCKYDX-BXUZGUMPSA-N
MW363.41 g/mol
LogP0.94
Rot. Bonds8

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

2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide (PubChem CID 91638290) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide.

Molecular Properties

Compound Name2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide
PubChem CID91638290
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide
SMILESCC[C@@H](C)[C@@H](CO)NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O
InChIInChI=1S/C18H25N3O5/c1-5-11(2)14(9-22)20-17(23)8-21-10-19-13-7-16(26-4)15(25-3)6-12(13)18(21)24/h6-7,10-11,14,22H,5,8-9H2,1-4H3,(H,20,23)/t11-,14-/m1/s1
InChIKeyUHRMVMANMCKYDX-BXUZGUMPSA-N
XLogP0.94
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 50.94
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-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide?
The IUPAC name of 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide (CID 91638290) is 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide.
What is the SMILES notation for 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide?
The canonical SMILES for 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide is CC[C@@H](C)[C@@H](CO)NC(=O)Cn1cnc2cc(OC)c(OC)cc2c1=O.
What is the InChIKey of 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide?
The InChIKey is UHRMVMANMCKYDX-BXUZGUMPSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-5-11(2)14(9-22)20-17(23)8-21-10-19-13-7-16(26-4)15(25-3)6-12(13)18(21)24/h6-7,10-11,14,22H,5,8-9H2,1-4H3,(H,20,23)/t11-,14-/m1/s1.
What are the key properties of 2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide?
2-(6,7-dimethoxy-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide has a molecular weight of 363.41 g/mol, XLogP of 0.94, 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-4-oxoquinazolin-3-yl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]acetamide is sourced from PubChem (CID 91638290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).