3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione

C20H21BrN2O4 — CID 118499634

IUPAC3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione
SMILESCOc1cc2c(=O)n(Cc3ccc(Br)cc3)c(=O)n(C(C)C)c2cc1OC
InChIInChI=1S/C20H21BrN2O4/c1-12(2)23-16-10-18(27-4)17(26-3)9-15(16)19(24)22(20(23)25)11-13-5-7-14(21)8-6-13/h5-10,12H,11H2,1-4H3
InChIKeyUXSNBXTUWNMAGR-UHFFFAOYSA-N
MW433.30 g/mol
LogP3.57
Rot. Bonds5

About 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione

3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione (PubChem CID 118499634) has the molecular formula C20H21BrN2O4 and a molecular weight of 433.30 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione
PubChem CID118499634
Molecular FormulaC20H21BrN2O4
Molecular Weight433.30 g/mol
Exact Mass432.07
IUPAC Name3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione
SMILESCOc1cc2c(=O)n(Cc3ccc(Br)cc3)c(=O)n(C(C)C)c2cc1OC
InChIInChI=1S/C20H21BrN2O4/c1-12(2)23-16-10-18(27-4)17(26-3)9-15(16)19(24)22(20(23)25)11-13-5-7-14(21)8-6-13/h5-10,12H,11H2,1-4H3
InChIKeyUXSNBXTUWNMAGR-UHFFFAOYSA-N
XLogP3.57
TPSA62.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione?
The IUPAC name of 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione (CID 118499634) is 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione is COc1cc2c(=O)n(Cc3ccc(Br)cc3)c(=O)n(C(C)C)c2cc1OC.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione?
The InChIKey is UXSNBXTUWNMAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrN2O4/c1-12(2)23-16-10-18(27-4)17(26-3)9-15(16)19(24)22(20(23)25)11-13-5-7-14(21)8-6-13/h5-10,12H,11H2,1-4H3.
What are the key properties of 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione?
3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione has a molecular weight of 433.30 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-6,7-dimethoxy-1-propan-2-ylquinazoline-2,4-dione is sourced from PubChem (CID 118499634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).