2-(chloromethyl)-3-hydroxyquinazolin-4-one

C9H7ClN2O2 — CID 15359769

IUPAC2-(chloromethyl)-3-hydroxyquinazolin-4-one
SMILESO=c1c2ccccc2nc(CCl)n1O
InChIInChI=1S/C9H7ClN2O2/c10-5-8-11-7-4-2-1-3-6(7)9(13)12(8)14/h1-4,14H,5H2
InChIKeyDNWFPYRMSMSPEP-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.37
Rot. Bonds1

About 2-(chloromethyl)-3-hydroxyquinazolin-4-one

2-(chloromethyl)-3-hydroxyquinazolin-4-one (PubChem CID 15359769) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-(chloromethyl)-3-hydroxyquinazolin-4-one.

Molecular Properties

Compound Name2-(chloromethyl)-3-hydroxyquinazolin-4-one
PubChem CID15359769
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name2-(chloromethyl)-3-hydroxyquinazolin-4-one
SMILESO=c1c2ccccc2nc(CCl)n1O
InChIInChI=1S/C9H7ClN2O2/c10-5-8-11-7-4-2-1-3-6(7)9(13)12(8)14/h1-4,14H,5H2
InChIKeyDNWFPYRMSMSPEP-UHFFFAOYSA-N
XLogP1.37
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[(dimethylamino)methyl]-3-hydroxyquinazolin-4-one;ethane
CID 91440564
2-(chloromethyl)-3-(2-ethylphenyl)quinazolin-4-one
CID 61064059
2-(chloromethyl)-3-(3,5-difluorophenyl)quinazolin-4-one
CID 61064933
N-[2-[2-(chloromethyl)-4-oxoquinazolin-3-yl]ethyl]methanesulfonamide
CID 61063730
methyl 3-[2-(chloromethyl)-4-oxoquinazolin-3-yl]propanoate
CID 61295376
2-(chloromethyl)-3-(4,4,4-trifluorobutyl)quinazolin-4-one
CID 115521867
3-(3-bromophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61065103
2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one
CID 62200086
2-(chloromethyl)-3-[(5-methylthiophen-2-yl)methyl]quinazolin-4-one
CID 62058122
3-hydroxy-2-thiophen-2-ylquinazolin-4-one
CID 14172895
ethane;2-(hydroxymethyl)-3-methylquinazolin-4-one
CID 91302678
2-(chloromethyl)-3-[3-(diethylamino)propyl]quinazolin-4-one
CID 61064400

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-hydroxyquinazolin-4-one?
The IUPAC name of 2-(chloromethyl)-3-hydroxyquinazolin-4-one (CID 15359769) is 2-(chloromethyl)-3-hydroxyquinazolin-4-one.
What is the SMILES notation for 2-(chloromethyl)-3-hydroxyquinazolin-4-one?
The canonical SMILES for 2-(chloromethyl)-3-hydroxyquinazolin-4-one is O=c1c2ccccc2nc(CCl)n1O.
What is the InChIKey of 2-(chloromethyl)-3-hydroxyquinazolin-4-one?
The InChIKey is DNWFPYRMSMSPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-5-8-11-7-4-2-1-3-6(7)9(13)12(8)14/h1-4,14H,5H2.
What are the key properties of 2-(chloromethyl)-3-hydroxyquinazolin-4-one?
2-(chloromethyl)-3-hydroxyquinazolin-4-one has a molecular weight of 210.62 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-hydroxyquinazolin-4-one is sourced from PubChem (CID 15359769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).