3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea

C19H28N4O2 — CID 42711191

IUPAC3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
SMILESCCC(c1nc2ccccc2c(=O)n1C)N(CC)C(=O)NC(C)(C)C
InChIInChI=1S/C19H28N4O2/c1-7-15(23(8-2)18(25)21-19(3,4)5)16-20-14-12-10-9-11-13(14)17(24)22(16)6/h9-12,15H,7-8H2,1-6H3,(H,21,25)
InChIKeyWFPWUULUOXRWAA-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.21
Rot. Bonds4

About 3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea

3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea (PubChem CID 42711191) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea.

Molecular Properties

Compound Name3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
PubChem CID42711191
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
SMILESCCC(c1nc2ccccc2c(=O)n1C)N(CC)C(=O)NC(C)(C)C
InChIInChI=1S/C19H28N4O2/c1-7-15(23(8-2)18(25)21-19(3,4)5)16-20-14-12-10-9-11-13(14)17(24)22(16)6/h9-12,15H,7-8H2,1-6H3,(H,21,25)
InChIKeyWFPWUULUOXRWAA-UHFFFAOYSA-N
XLogP3.21
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.21
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-ethylurea
CID 42719823
1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-ylurea
CID 42712560
1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)urea
CID 42712646
3-tert-butyl-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-propylurea
CID 42718843
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)-1-pentylurea
CID 42717824
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-(2-methylpropyl)urea
CID 42719856
N-hexyl-2,2-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]propanamide
CID 42711941
N-ethyl-3,3-dimethyl-N-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]butanamide
CID 42711283
3-[2,6-di(propan-2-yl)phenyl]-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]urea
CID 42712537
1-butyl-3-tert-butyl-1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42716709
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea
CID 4025783
1-benzyl-3-(2-bromophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712571

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea?
The IUPAC name of 3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea (CID 42711191) is 3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea.
What is the SMILES notation for 3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea?
The canonical SMILES for 3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea is CCC(c1nc2ccccc2c(=O)n1C)N(CC)C(=O)NC(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea?
The InChIKey is WFPWUULUOXRWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-7-15(23(8-2)18(25)21-19(3,4)5)16-20-14-12-10-9-11-13(14)17(24)22(16)6/h9-12,15H,7-8H2,1-6H3,(H,21,25).
What are the key properties of 3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea?
3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea has a molecular weight of 344.46 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-ethyl-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea is sourced from PubChem (CID 42711191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).