1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea

C25H24N4O3 — CID 136929508

IUPAC1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccccc1Oc1cccc(C)c1
InChIInChI=1S/C25H24N4O3/c1-3-29(16-23-26-20-12-5-4-11-19(20)24(30)28-23)25(31)27-21-13-6-7-14-22(21)32-18-10-8-9-17(2)15-18/h4-15H,3,16H2,1-2H3,(H,27,31)(H,26,28,30)
InChIKeyKONHYYKUBBDKHN-UHFFFAOYSA-N
MW428.49 g/mol
LogP5.08
Rot. Bonds6

About 1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea

1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (PubChem CID 136929508) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
PubChem CID136929508
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
SMILESCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccccc1Oc1cccc(C)c1
InChIInChI=1S/C25H24N4O3/c1-3-29(16-23-26-20-12-5-4-11-19(20)24(30)28-23)25(31)27-21-13-6-7-14-22(21)32-18-10-8-9-17(2)15-18/h4-15H,3,16H2,1-2H3,(H,27,31)(H,26,28,30)
InChIKeyKONHYYKUBBDKHN-UHFFFAOYSA-N
XLogP5.08
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea with MolForge

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Related Compounds

N-ethyl-3-(3-methylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]propanamide
CID 135821067
3-(3-chloro-2-methoxyphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136873354
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(3-propan-2-ylphenyl)urea
CID 136929510
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-propan-2-ylurea
CID 135680669
3-(4-acetylphenyl)-1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136948205
3-(2-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-(thiophen-2-ylmethyl)urea
CID 135429181
1-ethyl-1-[(4-oxo-3H-quinazolin-2-yl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 136929486
N-[2-[ethyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 135687208
1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxyphenyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135429180
N-ethyl-2-(3-ethylphenoxy)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135821082
1-ethyl-3-(2-methyl-2-phenylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 136948180
N-(2-ethoxyphenyl)-2-[methyl-[(4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 135619644

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The IUPAC name of 1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea (CID 136929508) is 1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The canonical SMILES for 1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccccc1Oc1cccc(C)c1.
What is the InChIKey of 1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
The InChIKey is KONHYYKUBBDKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-3-29(16-23-26-20-12-5-4-11-19(20)24(30)28-23)25(31)27-21-13-6-7-14-22(21)32-18-10-8-9-17(2)15-18/h4-15H,3,16H2,1-2H3,(H,27,31)(H,26,28,30).
What are the key properties of 1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea?
1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea has a molecular weight of 428.49 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(3-methylphenoxy)phenyl]-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea is sourced from PubChem (CID 136929508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).