1-(3-chlorophenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea

C22H17ClN4O2 — CID 122195830

IUPAC1-(3-chlorophenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cc2ncncc2cc1OCc1ccccc1
InChIInChI=1S/C22H17ClN4O2/c23-17-7-4-8-18(10-17)26-22(28)27-20-11-19-16(12-24-14-25-19)9-21(20)29-13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H2,26,27,28)
InChIKeyZCBOUUCGIRZFRK-UHFFFAOYSA-N
MW404.86 g/mol
LogP5.51
Rot. Bonds5

About 1-(3-chlorophenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea

1-(3-chlorophenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea (PubChem CID 122195830) has the molecular formula C22H17ClN4O2 and a molecular weight of 404.86 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea
PubChem CID122195830
Molecular FormulaC22H17ClN4O2
Molecular Weight404.86 g/mol
Exact Mass404.10
IUPAC Name1-(3-chlorophenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cc2ncncc2cc1OCc1ccccc1
InChIInChI=1S/C22H17ClN4O2/c23-17-7-4-8-18(10-17)26-22(28)27-20-11-19-16(12-24-14-25-19)9-21(20)29-13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H2,26,27,28)
InChIKeyZCBOUUCGIRZFRK-UHFFFAOYSA-N
XLogP5.51
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.86
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea (CID 122195830) is 1-(3-chlorophenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea is O=C(Nc1cccc(Cl)c1)Nc1cc2ncncc2cc1OCc1ccccc1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea?
The InChIKey is ZCBOUUCGIRZFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O2/c23-17-7-4-8-18(10-17)26-22(28)27-20-11-19-16(12-24-14-25-19)9-21(20)29-13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H2,26,27,28).
What are the key properties of 1-(3-chlorophenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea?
1-(3-chlorophenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea has a molecular weight of 404.86 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(6-phenylmethoxyquinazolin-7-yl)urea is sourced from PubChem (CID 122195830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).