6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one

C11H15N3O3 — CID 168593696

IUPAC6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2cc(NCC(O)CO)ccc2N1
InChIInChI=1S/C11H15N3O3/c15-6-9(16)5-12-8-1-2-10-7(3-8)4-13-11(17)14-10/h1-3,9,12,15-16H,4-6H2,(H2,13,14,17)
InChIKeyVGRORCLEHZZZGC-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.09
Rot. Bonds4

About 6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one

6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 168593696) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one
PubChem CID168593696
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one
SMILESO=C1NCc2cc(NCC(O)CO)ccc2N1
InChIInChI=1S/C11H15N3O3/c15-6-9(16)5-12-8-1-2-10-7(3-8)4-13-11(17)14-10/h1-3,9,12,15-16H,4-6H2,(H2,13,14,17)
InChIKeyVGRORCLEHZZZGC-UHFFFAOYSA-N
XLogP0.09
TPSA93.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-dihydroxypropylamino)-3,3-dimethyl-1H-indol-2-one
CID 168596347
3-(5,6,7,8-tetrahydronaphthalen-2-ylamino)propane-1,2-diol
CID 115121860
6-(2,3-dihydroxypropylamino)-4H-1,4-benzoxazin-3-one
CID 115121906
3-hydroxy-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)amino]butanoic acid
CID 115122854
6-[(3-chloro-2-hydroxypropyl)amino]-4,4-dimethyl-1,2-dihydroisoquinolin-3-one
CID 168640091
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
6-(2,3-dihydroxypropylamino)-2,2-dimethyl-4H-1,4-benzoxazin-3-one
CID 168597522
3-(3,4-dimethylanilino)propane-1,2-diol
CID 76891516
4-(2,3-dihydroxypropylamino)phthalic acid
CID 168596094
3-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)amino]propane-1,2-diol
CID 168597315
6-(2,3-dihydroxypropylamino)-1,3,3-trimethylindol-2-one
CID 168595777
5-(2,3-dihydroxypropylamino)-2,4-dihydro-1H-isoquinolin-3-one
CID 168594667

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one (CID 168593696) is 6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one is O=C1NCc2cc(NCC(O)CO)ccc2N1.
What is the InChIKey of 6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is VGRORCLEHZZZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-6-9(16)5-12-8-1-2-10-7(3-8)4-13-11(17)14-10/h1-3,9,12,15-16H,4-6H2,(H2,13,14,17).
What are the key properties of 6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one?
6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 237.26 g/mol, XLogP of 0.09, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroxypropylamino)-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 168593696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).