1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea

C28H31N5O2 — CID 42715540

IUPAC1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N(CCc1ccccn1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C28H31N5O2/c1-4-25(26-31-24-12-7-6-11-23(24)27(34)32(26)5-2)33(19-17-21-10-8-9-18-29-21)28(35)30-22-15-13-20(3)14-16-22/h6-16,18,25H,4-5,17,19H2,1-3H3,(H,30,35)
InChIKeyXHQUXAZFXRQGIX-UHFFFAOYSA-N
MW469.59 g/mol
LogP5.35
Rot. Bonds8

About 1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea

1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea (PubChem CID 42715540) has the molecular formula C28H31N5O2 and a molecular weight of 469.59 g/mol. Its IUPAC name is 1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea.

Molecular Properties

Compound Name1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea
PubChem CID42715540
Molecular FormulaC28H31N5O2
Molecular Weight469.59 g/mol
Exact Mass469.25
IUPAC Name1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea
SMILESCCC(c1nc2ccccc2c(=O)n1CC)N(CCc1ccccn1)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C28H31N5O2/c1-4-25(26-31-24-12-7-6-11-23(24)27(34)32(26)5-2)33(19-17-21-10-8-9-18-29-21)28(35)30-22-15-13-20(3)14-16-22/h6-16,18,25H,4-5,17,19H2,1-3H3,(H,30,35)
InChIKeyXHQUXAZFXRQGIX-UHFFFAOYSA-N
XLogP5.35
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.59
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea with MolForge

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Related Compounds

3-(4-chlorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42714465
methyl 4-[2-[1-[hexyl-[(4-methylphenyl)carbamoyl]amino]propyl]-4-oxoquinazolin-3-yl]butanoate
CID 42657801
1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)urea
CID 42712646
1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methoxyphenyl)urea
CID 42714474
3-benzyl-1-butyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712976
1-[1-(3-benzyl-4-oxoquinazolin-2-yl)propyl]-3-(3-fluorophenyl)-1-(2-phenylethyl)urea
CID 42713676
1-[2-(dimethylamino)ethyl]-3-(4-methylsulfanylphenyl)-1-[1-(4-oxo-3-propylquinazolin-2-yl)propyl]urea
CID 42715518
1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(4-methylphenyl)urea
CID 5222429
1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712982
1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethyl-3-(4-methylphenyl)urea
CID 5031532
1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-(4-methylphenyl)-1-pentylurea
CID 42723161
1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]-3-naphthalen-1-yl-1-(2-phenylethyl)urea
CID 4025783

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea?
The IUPAC name of 1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea (CID 42715540) is 1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea.
What is the SMILES notation for 1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea?
The canonical SMILES for 1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea is CCC(c1nc2ccccc2c(=O)n1CC)N(CCc1ccccn1)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of 1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea?
The InChIKey is XHQUXAZFXRQGIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O2/c1-4-25(26-31-24-12-7-6-11-23(24)27(34)32(26)5-2)33(19-17-21-10-8-9-18-29-21)28(35)30-22-15-13-20(3)14-16-22/h6-16,18,25H,4-5,17,19H2,1-3H3,(H,30,35).
What are the key properties of 1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea?
1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea has a molecular weight of 469.59 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(4-methylphenyl)-1-(2-pyridin-2-ylethyl)urea is sourced from PubChem (CID 42715540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).