3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea

C30H34N4O4 — CID 4690566

IUPAC3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CC(C)C)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C30H34N4O4/c1-6-27(33(19-20(2)3)30(36)31-21-11-15-23(37-4)16-12-21)28-32-26-10-8-7-9-25(26)29(35)34(28)22-13-17-24(38-5)18-14-22/h7-18,20,27H,6,19H2,1-5H3,(H,31,36)
InChIKeyHDGSNWGGLVRILZ-UHFFFAOYSA-N
MW514.63 g/mol
LogP6.04
Rot. Bonds9

About 3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea

3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea (PubChem CID 4690566) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea
PubChem CID4690566
Molecular FormulaC30H34N4O4
Molecular Weight514.63 g/mol
Exact Mass514.26
IUPAC Name3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CC(C)C)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C30H34N4O4/c1-6-27(33(19-20(2)3)30(36)31-21-11-15-23(37-4)16-12-21)28-32-26-10-8-7-9-25(26)29(35)34(28)22-13-17-24(38-5)18-14-22/h7-18,20,27H,6,19H2,1-5H3,(H,31,36)
InChIKeyHDGSNWGGLVRILZ-UHFFFAOYSA-N
XLogP6.04
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(4-methylphenyl)urea
CID 5222429
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-1-hexyl-3-(4-methoxyphenyl)urea
CID 42719566
1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)-3-(4-methylsulfanylphenyl)urea
CID 42723154
1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-(4-nitrophenyl)-1-pentylurea
CID 4316745
3-(3-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 3412674
3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-propylurea
CID 42718730
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)cyclopropanecarboxamide
CID 42719268
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methylbutyl)-2-phenoxyacetamide
CID 42719271
1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)-3-(4-propan-2-ylphenyl)urea
CID 4215387
1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 4023310
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-tert-butyl-1-(2-methylpropyl)urea
CID 42719856
N-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-2,2-diphenyl-N-propylacetamide
CID 42719240

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea?
The IUPAC name of 3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea (CID 4690566) is 3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea?
The canonical SMILES for 3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea is CCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CC(C)C)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea?
The InChIKey is HDGSNWGGLVRILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-6-27(33(19-20(2)3)30(36)31-21-11-15-23(37-4)16-12-21)28-32-26-10-8-7-9-25(26)29(35)34(28)22-13-17-24(38-5)18-14-22/h7-18,20,27H,6,19H2,1-5H3,(H,31,36).
What are the key properties of 3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea?
3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea has a molecular weight of 514.63 g/mol, XLogP of 6.04, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea is sourced from PubChem (CID 4690566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).