1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea

C27H33BrN4O2 — CID 5226088

IUPAC1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea
SMILESCCCN(C(=O)NC1CCCCC1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C27H33BrN4O2/c1-3-18-31(27(34)29-20-10-6-5-7-11-20)24(4-2)25-30-23-13-9-8-12-22(23)26(33)32(25)21-16-14-19(28)15-17-21/h8-9,12-17,20,24H,3-7,10-11,18H2,1-2H3,(H,29,34)
InChIKeyFUHIYLYTFGUHJD-UHFFFAOYSA-N
MW525.49 g/mol
LogP6.35
Rot. Bonds7

About 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea

1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea (PubChem CID 5226088) has the molecular formula C27H33BrN4O2 and a molecular weight of 525.49 g/mol. Its IUPAC name is 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea.

Molecular Properties

Compound Name1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea
PubChem CID5226088
Molecular FormulaC27H33BrN4O2
Molecular Weight525.49 g/mol
Exact Mass524.18
IUPAC Name1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea
SMILESCCCN(C(=O)NC1CCCCC1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C27H33BrN4O2/c1-3-18-31(27(34)29-20-10-6-5-7-11-20)24(4-2)25-30-23-13-9-8-12-22(23)26(33)32(25)21-16-14-19(28)15-17-21/h8-9,12-17,20,24H,3-7,10-11,18H2,1-2H3,(H,29,34)
InChIKeyFUHIYLYTFGUHJD-UHFFFAOYSA-N
XLogP6.35
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.49
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716458
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-ethylcyclopentanecarboxamide
CID 42719818
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-butylcyclobutanecarboxamide
CID 42719848
3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea
CID 42713137
3-cyclohexyl-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42718302
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-ethylurea
CID 42719823
3-(4-bromophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 4236506
3-(2-bromophenyl)-1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-propylurea
CID 3497094
N-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-N-[2-(dimethylamino)ethyl]propanamide
CID 42719572
3-tert-butyl-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-propylurea
CID 42718843
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-(2-methylpropyl)urea
CID 42719856
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-hexyl-3-(4-methoxyphenyl)urea
CID 42719566

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea?
The IUPAC name of 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea (CID 5226088) is 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea.
What is the SMILES notation for 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea?
The canonical SMILES for 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea is CCCN(C(=O)NC1CCCCC1)C(CC)c1nc2ccccc2c(=O)n1-c1ccc(Br)cc1.
What is the InChIKey of 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea?
The InChIKey is FUHIYLYTFGUHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33BrN4O2/c1-3-18-31(27(34)29-20-10-6-5-7-11-20)24(4-2)25-30-23-13-9-8-12-22(23)26(33)32(25)21-16-14-19(28)15-17-21/h8-9,12-17,20,24H,3-7,10-11,18H2,1-2H3,(H,29,34).
What are the key properties of 1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea?
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-cyclohexyl-1-propylurea has a molecular weight of 525.49 g/mol, XLogP of 6.35, 7 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-cyclohexyl-1-propylurea is sourced from PubChem (CID 5226088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).