1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea

C24H29BrN4O2 — CID 42719823

IUPAC1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(CC)C(=O)NC(C)(C)C
InChIInChI=1S/C24H29BrN4O2/c1-6-20(28(7-2)23(31)27-24(3,4)5)21-26-19-11-9-8-10-18(19)22(30)29(21)17-14-12-16(25)13-15-17/h8-15,20H,6-7H2,1-5H3,(H,27,31)
InChIKeyODRXIABVCJYWRO-UHFFFAOYSA-N
MW485.43 g/mol
LogP5.43
Rot. Bonds5

About 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea

1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea (PubChem CID 42719823) has the molecular formula C24H29BrN4O2 and a molecular weight of 485.43 g/mol. Its IUPAC name is 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea.

Molecular Properties

Compound Name1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea
PubChem CID42719823
Molecular FormulaC24H29BrN4O2
Molecular Weight485.43 g/mol
Exact Mass484.15
IUPAC Name1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(CC)C(=O)NC(C)(C)C
InChIInChI=1S/C24H29BrN4O2/c1-6-20(28(7-2)23(31)27-24(3,4)5)21-26-19-11-9-8-10-18(19)22(30)29(21)17-14-12-16(25)13-15-17/h8-15,20H,6-7H2,1-5H3,(H,27,31)
InChIKeyODRXIABVCJYWRO-UHFFFAOYSA-N
XLogP5.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.43
LogP ≤ 55.43
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-tert-butyl-1-(2-methylpropyl)urea
CID 42719856
3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42711191
3-tert-butyl-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-propylurea
CID 42718843
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide
CID 42719818
1-butyl-3-tert-butyl-1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42716709
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-methyl-3-(2-methylphenyl)urea
CID 42719804
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 42719572
3-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethylurea
CID 3607239
3-(4-bromophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 4236506
1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethyl-3-(2-methylphenyl)urea
CID 4301001
3-tert-butyl-1-[1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea
CID 42718042
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea
CID 5226088

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea?
The IUPAC name of 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea (CID 42719823) is 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea.
What is the SMILES notation for 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea?
The canonical SMILES for 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea is CCC(c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1)N(CC)C(=O)NC(C)(C)C.
What is the InChIKey of 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea?
The InChIKey is ODRXIABVCJYWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O2/c1-6-20(28(7-2)23(31)27-24(3,4)5)21-26-19-11-9-8-10-18(19)22(30)29(21)17-14-12-16(25)13-15-17/h8-15,20H,6-7H2,1-5H3,(H,27,31).
What are the key properties of 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea?
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea has a molecular weight of 485.43 g/mol, XLogP of 5.43, 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]-3-tert-butyl-1-ethylurea is sourced from PubChem (CID 42719823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).