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

C26H25BrN4O2 — CID 42719804

IUPAC1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(C)C(=O)Nc1ccccc1C
InChIInChI=1S/C26H25BrN4O2/c1-4-23(30(3)26(33)29-21-11-7-5-9-17(21)2)24-28-22-12-8-6-10-20(22)25(32)31(24)19-15-13-18(27)14-16-19/h5-16,23H,4H2,1-3H3,(H,29,33)
InChIKeyHMBIRNAEYRIHSV-UHFFFAOYSA-N
MW505.42 g/mol
LogP6.07
Rot. Bonds5

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

1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea (PubChem CID 42719804) has the molecular formula C26H25BrN4O2 and a molecular weight of 505.42 g/mol. Its IUPAC name is 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea
PubChem CID42719804
Molecular FormulaC26H25BrN4O2
Molecular Weight505.42 g/mol
Exact Mass504.12
IUPAC Name1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(C)C(=O)Nc1ccccc1C
InChIInChI=1S/C26H25BrN4O2/c1-4-23(30(3)26(33)29-21-11-7-5-9-17(21)2)24-28-22-12-8-6-10-20(22)25(32)31(24)19-15-13-18(27)14-16-19/h5-16,23H,4H2,1-3H3,(H,29,33)
InChIKeyHMBIRNAEYRIHSV-UHFFFAOYSA-N
XLogP6.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.42
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(4-ethylphenyl)-1-methylurea
CID 42719803
1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716190
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea
CID 42719823
1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethyl-3-(2-methylphenyl)urea
CID 4301001
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-(2-methylpropyl)urea
CID 42719856
1-benzyl-1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2,3-dichlorophenyl)urea
CID 3893628
1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-naphthalen-1-ylurea
CID 3478926
3-(4-bromophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 4236506
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 42719572
1-benzyl-3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42718679
3-bromo-N-methyl-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]benzamide
CID 42716248
3-[3,5-bis(trifluoromethyl)phenyl]-1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
CID 42657564

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea?
The IUPAC name of 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea (CID 42719804) is 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea is CCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(C)C(=O)Nc1ccccc1C.
What is the InChIKey of 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea?
The InChIKey is HMBIRNAEYRIHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrN4O2/c1-4-23(30(3)26(33)29-21-11-7-5-9-17(21)2)24-28-22-12-8-6-10-20(22)25(32)31(24)19-15-13-18(27)14-16-19/h5-16,23H,4H2,1-3H3,(H,29,33).
What are the key properties of 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea?
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea has a molecular weight of 505.42 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea is sourced from PubChem (CID 42719804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).