3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea

C24H23BrN4O3 — CID 42712578

IUPAC3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
SMILESCCC(c1nc2ccccc2c(=O)n1C)N(Cc1ccco1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C24H23BrN4O3/c1-3-21(22-26-19-12-6-4-10-17(19)23(30)28(22)2)29(15-16-9-8-14-32-16)24(31)27-20-13-7-5-11-18(20)25/h4-14,21H,3,15H2,1-2H3,(H,27,31)
InChIKeyJODPFPMBBYVHTI-UHFFFAOYSA-N
MW495.38 g/mol
LogP5.47
Rot. Bonds6

About 3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea

3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea (PubChem CID 42712578) has the molecular formula C24H23BrN4O3 and a molecular weight of 495.38 g/mol. Its IUPAC name is 3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea.

Molecular Properties

Compound Name3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
PubChem CID42712578
Molecular FormulaC24H23BrN4O3
Molecular Weight495.38 g/mol
Exact Mass494.10
IUPAC Name3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
SMILESCCC(c1nc2ccccc2c(=O)n1C)N(Cc1ccco1)C(=O)Nc1ccccc1Br
InChIInChI=1S/C24H23BrN4O3/c1-3-21(22-26-19-12-6-4-10-17(19)23(30)28(22)2)29(15-16-9-8-14-32-16)24(31)27-20-13-7-5-11-18(20)25/h4-14,21H,3,15H2,1-2H3,(H,27,31)
InChIKeyJODPFPMBBYVHTI-UHFFFAOYSA-N
XLogP5.47
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.38
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea with MolForge

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Related Compounds

1-benzyl-3-(2-bromophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712571
2,2-dichloro-N-(furan-2-ylmethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]acetamide
CID 42711860
1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-ylurea
CID 42712560
3-(2-bromophenyl)-1-butyl-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
CID 42713772
3-(2,3-dichlorophenyl)-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42723191
3-benzyl-1-(furan-2-ylmethyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42713639
3-(2-bromophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-phenylethyl)urea
CID 42713122
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea
CID 4025783
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
CID 42717824
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)urea
CID 42715840
3-(2-bromophenyl)-1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-propylurea
CID 3497094
3-benzyl-1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-(furan-2-ylmethyl)urea
CID 4667171

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea?
The IUPAC name of 3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea (CID 42712578) is 3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea.
What is the SMILES notation for 3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea?
The canonical SMILES for 3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea is CCC(c1nc2ccccc2c(=O)n1C)N(Cc1ccco1)C(=O)Nc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea?
The InChIKey is JODPFPMBBYVHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN4O3/c1-3-21(22-26-19-12-6-4-10-17(19)23(30)28(22)2)29(15-16-9-8-14-32-16)24(31)27-20-13-7-5-11-18(20)25/h4-14,21H,3,15H2,1-2H3,(H,27,31).
What are the key properties of 3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea?
3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea has a molecular weight of 495.38 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-1-(furan-2-ylmethyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea is sourced from PubChem (CID 42712578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).