3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea

C21H23BrN4O2 — CID 42712600

IUPAC3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea
SMILESCCN(C(=O)Nc1cccc(Br)c1)C(C)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C21H23BrN4O2/c1-4-25(21(28)23-16-10-8-9-15(22)13-16)14(3)19-24-18-12-7-6-11-17(18)20(27)26(19)5-2/h6-14H,4-5H2,1-3H3,(H,23,28)
InChIKeyUZSSMLWGIYYBLE-UHFFFAOYSA-N
MW443.35 g/mol
LogP4.79
Rot. Bonds5

About 3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea

3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea (PubChem CID 42712600) has the molecular formula C21H23BrN4O2 and a molecular weight of 443.35 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea
PubChem CID42712600
Molecular FormulaC21H23BrN4O2
Molecular Weight443.35 g/mol
Exact Mass442.10
IUPAC Name3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea
SMILESCCN(C(=O)Nc1cccc(Br)c1)C(C)c1nc2ccccc2c(=O)n1CC
InChIInChI=1S/C21H23BrN4O2/c1-4-25(21(28)23-16-10-8-9-15(22)13-16)14(3)19-24-18-12-7-6-11-17(18)20(27)26(19)5-2/h6-14H,4-5H2,1-3H3,(H,23,28)
InChIKeyUZSSMLWGIYYBLE-UHFFFAOYSA-N
XLogP4.79
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42717799
3-(3-bromophenyl)-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-methylurea
CID 42713826
1-butyl-3-(3-methylphenyl)-1-[(1R)-1-(4-oxo-3-propylquinazolin-2-yl)ethyl]urea
CID 7301354
1-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-3-(3-bromophenyl)-1-[2-(dimethylamino)ethyl]urea
CID 42715208
N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 42711742
3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea
CID 42712537
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
CID 42713023
1-methyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42713756
1-butyl-3-(3-chlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42713184
1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)urea
CID 42712646
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methylpropyl)butanamide
CID 42711613
3-(2,4-difluorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(3-methylbutyl)urea
CID 42717811

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea?
The IUPAC name of 3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea (CID 42712600) is 3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea.
What is the SMILES notation for 3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea?
The canonical SMILES for 3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea is CCN(C(=O)Nc1cccc(Br)c1)C(C)c1nc2ccccc2c(=O)n1CC.
What is the InChIKey of 3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea?
The InChIKey is UZSSMLWGIYYBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4O2/c1-4-25(21(28)23-16-10-8-9-15(22)13-16)14(3)19-24-18-12-7-6-11-17(18)20(27)26(19)5-2/h6-14H,4-5H2,1-3H3,(H,23,28).
What are the key properties of 3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea?
3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea has a molecular weight of 443.35 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea is sourced from PubChem (CID 42712600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).