3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione

C17H15ClN2O3 — CID 605382

IUPAC3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CCOCc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O3/c18-14-7-3-1-5-12(14)11-23-10-9-20-16(21)13-6-2-4-8-15(13)19-17(20)22/h1-8H,9-11H2,(H,19,22)
InChIKeyKSUVSNHWURBHNH-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.56
Rot. Bonds5

About 3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione

3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione (PubChem CID 605382) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is 3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione
PubChem CID605382
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccccc2c(=O)n1CCOCc1ccccc1Cl
InChIInChI=1S/C17H15ClN2O3/c18-14-7-3-1-5-12(14)11-23-10-9-20-16(21)13-6-2-4-8-15(13)19-17(20)22/h1-8H,9-11H2,(H,19,22)
InChIKeyKSUVSNHWURBHNH-UHFFFAOYSA-N
XLogP2.56
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione (CID 605382) is 3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione is O=c1[nH]c2ccccc2c(=O)n1CCOCc1ccccc1Cl.
What is the InChIKey of 3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione?
The InChIKey is KSUVSNHWURBHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-14-7-3-1-5-12(14)11-23-10-9-20-16(21)13-6-2-4-8-15(13)19-17(20)22/h1-8H,9-11H2,(H,19,22).
What are the key properties of 3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione?
3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione has a molecular weight of 330.77 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-chlorophenyl)methoxy]ethyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 605382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).