3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione

C15H11ClN2O3 — CID 117261970

IUPAC3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1cccc2c(=O)n(-c3ccccc3Cl)c(=O)[nH]c12
InChIInChI=1S/C15H11ClN2O3/c1-21-12-8-4-5-9-13(12)17-15(20)18(14(9)19)11-7-3-2-6-10(11)16/h2-8H,1H3,(H,17,20)
InChIKeyVBEWDWHBDNLOHF-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.34
Rot. Bonds2

About 3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione

3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione (PubChem CID 117261970) has the molecular formula C15H11ClN2O3 and a molecular weight of 302.72 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione
PubChem CID117261970
Molecular FormulaC15H11ClN2O3
Molecular Weight302.72 g/mol
Exact Mass302.05
IUPAC Name3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione
SMILESCOc1cccc2c(=O)n(-c3ccccc3Cl)c(=O)[nH]c12
InChIInChI=1S/C15H11ClN2O3/c1-21-12-8-4-5-9-13(12)17-15(20)18(14(9)19)11-7-3-2-6-10(11)16/h2-8H,1H3,(H,17,20)
InChIKeyVBEWDWHBDNLOHF-UHFFFAOYSA-N
XLogP2.34
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-methoxy-3-(2-methylphenyl)-1H-quinazoline-2,4-dione
CID 117261966
8-chloro-3-(2-chlorophenyl)-1H-quinazoline-2,4-dione
CID 117261960
8-methoxy-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
CID 117261941
7-methoxy-3-(2-methoxyphenyl)-1H-benzimidazol-2-one
CID 19771132
3-(2-chlorophenyl)-4-methoxy-1H-benzimidazol-2-one
CID 117209227
8-methoxy-3-(5-methylthiophen-2-yl)-1H-quinazoline-2,4-dione
CID 117261861
3-(2-bromophenyl)-7-methoxy-1H-benzimidazol-2-one
CID 117206866
8-methoxy-3-(2-methylpropyl)-1H-quinazoline-2,4-dione
CID 117261904
8-methoxy-3-propyl-1H-quinazoline-2,4-dione
CID 117261902
6-hydroxy-3-(2-methoxyphenyl)-1H-quinazoline-2,4-dione
CID 117261398
3-(3-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117263372
3-(2-aminopropyl)-8-methoxy-1H-quinazoline-2,4-dione
CID 117263341

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione?
The IUPAC name of 3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione (CID 117261970) is 3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione is COc1cccc2c(=O)n(-c3ccccc3Cl)c(=O)[nH]c12.
What is the InChIKey of 3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione?
The InChIKey is VBEWDWHBDNLOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O3/c1-21-12-8-4-5-9-13(12)17-15(20)18(14(9)19)11-7-3-2-6-10(11)16/h2-8H,1H3,(H,17,20).
What are the key properties of 3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione?
3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione has a molecular weight of 302.72 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-8-methoxy-1H-quinazoline-2,4-dione is sourced from PubChem (CID 117261970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).