1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea

C26H24BrClN4O2 — CID 42657422

IUPAC1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea
SMILESCCn1c(C(C)N(Cc2ccccc2)C(=O)Nc2ccccc2Br)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C26H24BrClN4O2/c1-3-31-24(29-22-14-13-19(28)15-20(22)25(31)33)17(2)32(16-18-9-5-4-6-10-18)26(34)30-23-12-8-7-11-21(23)27/h4-15,17H,3,16H2,1-2H3,(H,30,34)
InChIKeyCEOSLPZYHOAOHD-UHFFFAOYSA-N
MW539.86 g/mol
LogP6.63
Rot. Bonds6

About 1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea

1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea (PubChem CID 42657422) has the molecular formula C26H24BrClN4O2 and a molecular weight of 539.86 g/mol. Its IUPAC name is 1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea
PubChem CID42657422
Molecular FormulaC26H24BrClN4O2
Molecular Weight539.86 g/mol
Exact Mass538.08
IUPAC Name1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea
SMILESCCn1c(C(C)N(Cc2ccccc2)C(=O)Nc2ccccc2Br)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C26H24BrClN4O2/c1-3-31-24(29-22-14-13-19(28)15-20(22)25(31)33)17(2)32(16-18-9-5-4-6-10-18)26(34)30-23-12-8-7-11-21(23)27/h4-15,17H,3,16H2,1-2H3,(H,30,34)
InChIKeyCEOSLPZYHOAOHD-UHFFFAOYSA-N
XLogP6.63
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.86
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea with MolForge

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Related Compounds

ethyl 4-[[benzyl-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]carbamoyl]amino]benzoate
CID 42714137
1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea
CID 42715157
1-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-bromophenyl)-1-butylurea
CID 42713867
1-benzyl-1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(4-methylsulfanylphenyl)urea
CID 42714098
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-phenylmethoxy-N-propylacetamide
CID 42714065
1-benzyl-3-(2-bromophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712571
N-(2-bromophenyl)-4-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-methylpiperazine-1-carboxamide
CID 42714871
N-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-ethylheptanamide
CID 42714113
1-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-ethylphenyl)urea
CID 42713065
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
CID 42713023
3-(2-bromophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-phenylethyl)urea
CID 42713122
1-benzyl-3-(2-bromophenyl)-1-propan-2-ylurea
CID 108868724

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea?
The IUPAC name of 1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea (CID 42657422) is 1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea.
What is the SMILES notation for 1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea?
The canonical SMILES for 1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea is CCn1c(C(C)N(Cc2ccccc2)C(=O)Nc2ccccc2Br)nc2ccc(Cl)cc2c1=O.
What is the InChIKey of 1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea?
The InChIKey is CEOSLPZYHOAOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrClN4O2/c1-3-31-24(29-22-14-13-19(28)15-20(22)25(31)33)17(2)32(16-18-9-5-4-6-10-18)26(34)30-23-12-8-7-11-21(23)27/h4-15,17H,3,16H2,1-2H3,(H,30,34).
What are the key properties of 1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea?
1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea has a molecular weight of 539.86 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-bromophenyl)-1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea is sourced from PubChem (CID 42657422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).