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

C27H34N4O2 — CID 42722030

IUPAC3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
SMILESCCc1ccccc1-n1c(C(C)N(CC)C(=O)NC2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C27H34N4O2/c1-4-20-13-9-12-18-24(20)31-25(29-23-17-11-10-16-22(23)26(31)32)19(3)30(5-2)27(33)28-21-14-7-6-8-15-21/h9-13,16-19,21H,4-8,14-15H2,1-3H3,(H,28,33)
InChIKeyMKMHNKJJOWPHJP-UHFFFAOYSA-N
MW446.60 g/mol
LogP5.37
Rot. Bonds6

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

3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea (PubChem CID 42722030) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is 3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
PubChem CID42722030
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Name3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
SMILESCCc1ccccc1-n1c(C(C)N(CC)C(=O)NC2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C27H34N4O2/c1-4-20-13-9-12-18-24(20)31-25(29-23-17-11-10-16-22(23)26(31)32)19(3)30(5-2)27(33)28-21-14-7-6-8-15-21/h9-13,16-19,21H,4-8,14-15H2,1-3H3,(H,28,33)
InChIKeyMKMHNKJJOWPHJP-UHFFFAOYSA-N
XLogP5.37
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.60
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea with MolForge

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Related Compounds

1-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclohexyl-1-ethylurea
CID 42717134
3-cyclohexyl-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42718302
3-cyclohexyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
CID 42718297
N-ethyl-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-4-methylbenzamide
CID 42722015
1-[1-[3-(2-bromo-3,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-cyclohexyl-1-propylurea
CID 42722152
3-cyclohexyl-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea
CID 42720179
3-cyclohexyl-1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716458
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-ethylcyclobutanecarboxamide
CID 42722454
1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718248
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide
CID 42721554
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42721421
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 3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea?
The IUPAC name of 3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea (CID 42722030) is 3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea.
What is the SMILES notation for 3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea?
The canonical SMILES for 3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea is CCc1ccccc1-n1c(C(C)N(CC)C(=O)NC2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of 3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea?
The InChIKey is MKMHNKJJOWPHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-4-20-13-9-12-18-24(20)31-25(29-23-17-11-10-16-22(23)26(31)32)19(3)30(5-2)27(33)28-21-14-7-6-8-15-21/h9-13,16-19,21H,4-8,14-15H2,1-3H3,(H,28,33).
What are the key properties of 3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea?
3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea has a molecular weight of 446.60 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-ethyl-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea is sourced from PubChem (CID 42722030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).