1-(4-acetylphenyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea

C21H21N5O3 — CID 162645197

IUPAC1-(4-acetylphenyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C21H21N5O3/c1-14(27)15-6-8-16(9-7-15)22-21(28)25-20-23-18-5-3-2-4-17(18)19(24-20)26-10-12-29-13-11-26/h2-9H,10-13H2,1H3,(H2,22,23,24,25,28)
InChIKeyMPHRPUFCHIWNIJ-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.31
Rot. Bonds4

About 1-(4-acetylphenyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea

1-(4-acetylphenyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea (PubChem CID 162645197) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea
PubChem CID162645197
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name1-(4-acetylphenyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea
SMILESCC(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1
InChIInChI=1S/C21H21N5O3/c1-14(27)15-6-8-16(9-7-15)22-21(28)25-20-23-18-5-3-2-4-17(18)19(24-20)26-10-12-29-13-11-26/h2-9H,10-13H2,1H3,(H2,22,23,24,25,28)
InChIKeyMPHRPUFCHIWNIJ-UHFFFAOYSA-N
XLogP3.31
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea (CID 162645197) is 1-(4-acetylphenyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea is CC(=O)c1ccc(NC(=O)Nc2nc(N3CCOCC3)c3ccccc3n2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
The InChIKey is MPHRPUFCHIWNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-14(27)15-6-8-16(9-7-15)22-21(28)25-20-23-18-5-3-2-4-17(18)19(24-20)26-10-12-29-13-11-26/h2-9H,10-13H2,1H3,(H2,22,23,24,25,28).
What are the key properties of 1-(4-acetylphenyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea?
1-(4-acetylphenyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea has a molecular weight of 391.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(4-morpholin-4-ylquinazolin-2-yl)urea is sourced from PubChem (CID 162645197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).