6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one

C11H13N3O3 — CID 162429544

IUPAC6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1cnc2ccc(NO)cc2c1=O
InChIInChI=1S/C11H13N3O3/c1-17-5-4-14-7-12-10-3-2-8(13-16)6-9(10)11(14)15/h2-3,6-7,13,16H,4-5H2,1H3
InChIKeyBQEAQWZVAWUXNP-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.84
Rot. Bonds4

About 6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one

6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one (PubChem CID 162429544) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one
PubChem CID162429544
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one
SMILESCOCCn1cnc2ccc(NO)cc2c1=O
InChIInChI=1S/C11H13N3O3/c1-17-5-4-14-7-12-10-3-2-8(13-16)6-9(10)11(14)15/h2-3,6-7,13,16H,4-5H2,1H3
InChIKeyBQEAQWZVAWUXNP-UHFFFAOYSA-N
XLogP0.84
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea
CID 162429400
1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea
CID 162429270
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-(3-methoxyphenyl)urea
CID 162429378
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 162429621
1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea
CID 162429447
3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one
CID 39817833
N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-pyrrol-1-yloxan-4-yl)acetamide
CID 91639946
6-bromo-3-[2-(2-methoxyethylamino)ethyl]quinazolin-4-one
CID 62563601
N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 71826913
3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide
CID 75356712
(3S)-1-(furan-2-ylmethyl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-5-oxopyrrolidine-3-carboxamide
CID 97265371
5-[(4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]pentanamide
CID 132992824

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one?
The IUPAC name of 6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one (CID 162429544) is 6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one.
What is the SMILES notation for 6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one?
The canonical SMILES for 6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one is COCCn1cnc2ccc(NO)cc2c1=O.
What is the InChIKey of 6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one?
The InChIKey is BQEAQWZVAWUXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-17-5-4-14-7-12-10-3-2-8(13-16)6-9(10)11(14)15/h2-3,6-7,13,16H,4-5H2,1H3.
What are the key properties of 6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one?
6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one has a molecular weight of 235.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one is sourced from PubChem (CID 162429544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).