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

C23H28N4O4 — CID 42712962

IUPAC1-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
SMILESCCC(c1nc2ccccc2c(=O)n1C)N(CCOC)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C23H28N4O4/c1-5-20(21-25-19-12-7-6-11-18(19)22(28)26(21)2)27(13-14-30-3)23(29)24-16-9-8-10-17(15-16)31-4/h6-12,15,20H,5,13-14H2,1-4H3,(H,24,29)
InChIKeyOTSPMCVRLCVXFH-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.57
Rot. Bonds8

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

1-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea (PubChem CID 42712962) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
PubChem CID42712962
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Name1-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
SMILESCCC(c1nc2ccccc2c(=O)n1C)N(CCOC)C(=O)Nc1cccc(OC)c1
InChIInChI=1S/C23H28N4O4/c1-5-20(21-25-19-12-7-6-11-18(19)22(28)26(21)2)27(13-14-30-3)23(29)24-16-9-8-10-17(15-16)31-4/h6-12,15,20H,5,13-14H2,1-4H3,(H,24,29)
InChIKeyOTSPMCVRLCVXFH-UHFFFAOYSA-N
XLogP3.57
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 3412674
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(3-methylphenyl)urea
CID 42717545
1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-methoxyethyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 42718822
1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 4023310
3-(3,4-dichlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
CID 42717800
1-benzyl-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(3-methoxyphenyl)urea
CID 4292539
N-(2-methoxyethyl)-N-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]cyclopropanecarboxamide
CID 42711971
3-(2,4-difluorophenyl)-1-(2-methoxyethyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42718720
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(3-methoxyphenyl)-1-propylurea
CID 42712970
1-hexyl-3-(2-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42713559
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-methoxyphenyl)-1-(3-methylbutyl)urea
CID 3985604
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea
CID 42713998

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea?
The IUPAC name of 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea (CID 42712962) is 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea?
The canonical SMILES for 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea is CCC(c1nc2ccccc2c(=O)n1C)N(CCOC)C(=O)Nc1cccc(OC)c1.
What is the InChIKey of 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea?
The InChIKey is OTSPMCVRLCVXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-5-20(21-25-19-12-7-6-11-18(19)22(28)26(21)2)27(13-14-30-3)23(29)24-16-9-8-10-17(15-16)31-4/h6-12,15,20H,5,13-14H2,1-4H3,(H,24,29).
What are the key properties of 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea?
1-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea has a molecular weight of 424.50 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(3-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea is sourced from PubChem (CID 42712962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).