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

C29H32N4O5 — CID 4023310

IUPAC1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCOC)C(=O)Nc1ccccc1OC
InChIInChI=1S/C29H32N4O5/c1-5-25(32(18-19-36-2)29(35)31-24-12-8-9-13-26(24)38-4)27-30-23-11-7-6-10-22(23)28(34)33(27)20-14-16-21(37-3)17-15-20/h6-17,25H,5,18-19H2,1-4H3,(H,31,35)
InChIKeyDEUDZNOZTWVLKO-UHFFFAOYSA-N
MW516.60 g/mol
LogP5.03
Rot. Bonds10

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

1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea (PubChem CID 4023310) has the molecular formula C29H32N4O5 and a molecular weight of 516.60 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
PubChem CID4023310
Molecular FormulaC29H32N4O5
Molecular Weight516.60 g/mol
Exact Mass516.24
IUPAC Name1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
SMILESCCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCOC)C(=O)Nc1ccccc1OC
InChIInChI=1S/C29H32N4O5/c1-5-25(32(18-19-36-2)29(35)31-24-12-8-9-13-26(24)38-4)27-30-23-11-7-6-10-22(23)28(34)33(27)20-14-16-21(37-3)17-15-20/h6-17,25H,5,18-19H2,1-4H3,(H,31,35)
InChIKeyDEUDZNOZTWVLKO-UHFFFAOYSA-N
XLogP5.03
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.60
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea with MolForge

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Related Compounds

3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-propylurea
CID 42718730
3-(2,4-difluorophenyl)-1-(2-methoxyethyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42718720
1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2-methoxyphenyl)-1-(2-phenylethyl)urea
CID 3917353
1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-propyl-3-[2-(trifluoromethyl)phenyl]urea
CID 42718726
1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 4573937
3-(3-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 3412674
3-(4-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methylpropyl)urea
CID 4690566
1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methoxyphenyl)urea
CID 42714474
3-(2-bromophenyl)-1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-propylurea
CID 3497094
1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(4-methylphenyl)urea
CID 5222429
1-hexyl-3-(2-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42713559
1-[1-[3-(2-bromo-3,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methoxyphenyl)urea
CID 42722133

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea (CID 4023310) is 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea is CCC(c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)N(CCOC)C(=O)Nc1ccccc1OC.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea?
The InChIKey is DEUDZNOZTWVLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O5/c1-5-25(32(18-19-36-2)29(35)31-24-12-8-9-13-26(24)38-4)27-30-23-11-7-6-10-22(23)28(34)33(27)20-14-16-21(37-3)17-15-20/h6-17,25H,5,18-19H2,1-4H3,(H,31,35).
What are the key properties of 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea?
1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea has a molecular weight of 516.60 g/mol, XLogP of 5.03, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea is sourced from PubChem (CID 4023310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).