3-(3-amino-2-hydroxypropyl)quinazolin-4-one

C11H13N3O2 — CID 43212309

IUPAC3-(3-amino-2-hydroxypropyl)quinazolin-4-one
SMILESNCC(O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C11H13N3O2/c12-5-8(15)6-14-7-13-10-4-2-1-3-9(10)11(14)16/h1-4,7-8,15H,5-6,12H2
InChIKeyCBUFGLJRDYRHKG-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.28
Rot. Bonds3

About 3-(3-amino-2-hydroxypropyl)quinazolin-4-one

3-(3-amino-2-hydroxypropyl)quinazolin-4-one (PubChem CID 43212309) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(3-amino-2-hydroxypropyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(3-amino-2-hydroxypropyl)quinazolin-4-one
PubChem CID43212309
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-(3-amino-2-hydroxypropyl)quinazolin-4-one
SMILESNCC(O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C11H13N3O2/c12-5-8(15)6-14-7-13-10-4-2-1-3-9(10)11(14)16/h1-4,7-8,15H,5-6,12H2
InChIKeyCBUFGLJRDYRHKG-UHFFFAOYSA-N
XLogP-0.28
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]quinazolin-4-one
CID 51283425
2-[(2S)-3-amino-2-hydroxypropyl]isoquinolin-1-one
CID 124570339
3-(4-aminobutyl)quinazolin-4-one
CID 28823941
[(2R,3S)-3-hydroxy-2-[(2R)-2-hydroxy-3-(4-oxoquinazolin-3-yl)propyl]piperidin-1-yl]thallium
CID 163767364
3-(5-aminopentyl)quinazolin-4-one
CID 54965918
3-[2-(bromomethyl)butyl]quinazolin-4-one
CID 64995247
3-[2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]quinazolin-4-one
CID 51283428
3-(2,2-dihydroxypropyl)quinazolin-4-one
CID 142014716
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]quinazolin-4-one
CID 110885190
3-(4-oxoquinazolin-3-yl)-2-phenylpropanenitrile
CID 64536553
3-(2-chloroethyl)quinazolin-4-one
CID 4518743

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-2-hydroxypropyl)quinazolin-4-one?
The IUPAC name of 3-(3-amino-2-hydroxypropyl)quinazolin-4-one (CID 43212309) is 3-(3-amino-2-hydroxypropyl)quinazolin-4-one.
What is the SMILES notation for 3-(3-amino-2-hydroxypropyl)quinazolin-4-one?
The canonical SMILES for 3-(3-amino-2-hydroxypropyl)quinazolin-4-one is NCC(O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of 3-(3-amino-2-hydroxypropyl)quinazolin-4-one?
The InChIKey is CBUFGLJRDYRHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-5-8(15)6-14-7-13-10-4-2-1-3-9(10)11(14)16/h1-4,7-8,15H,5-6,12H2.
What are the key properties of 3-(3-amino-2-hydroxypropyl)quinazolin-4-one?
3-(3-amino-2-hydroxypropyl)quinazolin-4-one has a molecular weight of 219.24 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-2-hydroxypropyl)quinazolin-4-one is sourced from PubChem (CID 43212309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).