3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea

C28H36N4O2 — CID 42718297

IUPAC3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
SMILESCc1cccc(-n2c(C(C)N(CC(C)C)C(=O)NC3CCCCC3)nc3ccccc3c2=O)c1
InChIInChI=1S/C28H36N4O2/c1-19(2)18-31(28(34)29-22-12-6-5-7-13-22)21(4)26-30-25-16-9-8-15-24(25)27(33)32(26)23-14-10-11-20(3)17-23/h8-11,14-17,19,21-22H,5-7,12-13,18H2,1-4H3,(H,29,34)
InChIKeyOZTPVBYKGRVJNW-UHFFFAOYSA-N
MW460.62 g/mol
LogP5.76
Rot. Bonds6

About 3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea

3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea (PubChem CID 42718297) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
PubChem CID42718297
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
SMILESCc1cccc(-n2c(C(C)N(CC(C)C)C(=O)NC3CCCCC3)nc3ccccc3c2=O)c1
InChIInChI=1S/C28H36N4O2/c1-19(2)18-31(28(34)29-22-12-6-5-7-13-22)21(4)26-30-25-16-9-8-15-24(25)27(33)32(26)23-14-10-11-20(3)17-23/h8-11,14-17,19,21-22H,5-7,12-13,18H2,1-4H3,(H,29,34)
InChIKeyOZTPVBYKGRVJNW-UHFFFAOYSA-N
XLogP5.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.62
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)propanamide
CID 42718469
2,2-dichloro-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)acetamide
CID 42718464
3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
CID 42718299
3,4,5-trimethoxy-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methylpropyl)benzamide
CID 42718474
3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42722030
3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea
CID 42720179
3-cyclohexyl-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42718302
1-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclohexyl-1-ethylurea
CID 42717134
4-methyl-N-(3-methylbutyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42719036
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716458
N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-N-propylcyclohexanecarboxamide
CID 3361299
3-cyclopentyl-N-(furan-2-ylmethyl)-N-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]propanamide
CID 4641269

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea?
The IUPAC name of 3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea (CID 42718297) is 3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea.
What is the SMILES notation for 3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea?
The canonical SMILES for 3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea is Cc1cccc(-n2c(C(C)N(CC(C)C)C(=O)NC3CCCCC3)nc3ccccc3c2=O)c1.
What is the InChIKey of 3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea?
The InChIKey is OZTPVBYKGRVJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-19(2)18-31(28(34)29-22-12-6-5-7-13-22)21(4)26-30-25-16-9-8-15-24(25)27(33)32(26)23-14-10-11-20(3)17-23/h8-11,14-17,19,21-22H,5-7,12-13,18H2,1-4H3,(H,29,34).
What are the key properties of 3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea?
3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea has a molecular weight of 460.62 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea is sourced from PubChem (CID 42718297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).