1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one

C12H17N3O2 — CID 82006279

IUPAC1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one
SMILESCN1Cc2ccccc2N(CC(O)CN)C1=O
InChIInChI=1S/C12H17N3O2/c1-14-7-9-4-2-3-5-11(9)15(12(14)17)8-10(16)6-13/h2-5,10,16H,6-8,13H2,1H3
InChIKeyTWKUMERRKAWHCD-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.38
Rot. Bonds3

About 1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one

1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one (PubChem CID 82006279) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one
PubChem CID82006279
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one
SMILESCN1Cc2ccccc2N(CC(O)CN)C1=O
InChIInChI=1S/C12H17N3O2/c1-14-7-9-4-2-3-5-11(9)15(12(14)17)8-10(16)6-13/h2-5,10,16H,6-8,13H2,1H3
InChIKeyTWKUMERRKAWHCD-UHFFFAOYSA-N
XLogP0.38
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one?
The IUPAC name of 1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one (CID 82006279) is 1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one.
What is the SMILES notation for 1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one?
The canonical SMILES for 1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one is CN1Cc2ccccc2N(CC(O)CN)C1=O.
What is the InChIKey of 1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one?
The InChIKey is TWKUMERRKAWHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-14-7-9-4-2-3-5-11(9)15(12(14)17)8-10(16)6-13/h2-5,10,16H,6-8,13H2,1H3.
What are the key properties of 1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one?
1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one has a molecular weight of 235.29 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-hydroxypropyl)-3-methyl-4H-quinazolin-2-one is sourced from PubChem (CID 82006279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).