1-[6-[(2-chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea

C22H15Cl3N4O2 — CID 122195814

IUPAC1-[6-[(2-chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc2ncncc2cc1OCc1ccccc1Cl
InChIInChI=1S/C22H15Cl3N4O2/c23-16-4-2-1-3-13(16)11-31-21-7-14-10-26-12-27-19(14)9-20(21)29-22(30)28-15-5-6-17(24)18(25)8-15/h1-10,12H,11H2,(H2,28,29,30)
InChIKeyQOTJRZOWKVKEEE-UHFFFAOYSA-N
MW473.75 g/mol
LogP6.81
Rot. Bonds5

About 1-[6-[(2-chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea

1-[6-[(2-chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea (PubChem CID 122195814) has the molecular formula C22H15Cl3N4O2 and a molecular weight of 473.75 g/mol. Its IUPAC name is 1-[6-[(2-chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea.

Molecular Properties

Compound Name1-[6-[(2-chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea
PubChem CID122195814
Molecular FormulaC22H15Cl3N4O2
Molecular Weight473.75 g/mol
Exact Mass472.03
IUPAC Name1-[6-[(2-chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc2ncncc2cc1OCc1ccccc1Cl
InChIInChI=1S/C22H15Cl3N4O2/c23-16-4-2-1-3-13(16)11-31-21-7-14-10-26-12-27-19(14)9-20(21)29-22(30)28-15-5-6-17(24)18(25)8-15/h1-10,12H,11H2,(H2,28,29,30)
InChIKeyQOTJRZOWKVKEEE-UHFFFAOYSA-N
XLogP6.81
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.75
LogP ≤ 56.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea?
The IUPAC name of 1-[6-[(2-chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea (CID 122195814) is 1-[6-[(2-chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea.
What is the SMILES notation for 1-[6-[(2-chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea?
The canonical SMILES for 1-[6-[(2-chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea is O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc2ncncc2cc1OCc1ccccc1Cl.
What is the InChIKey of 1-[6-[(2-chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea?
The InChIKey is QOTJRZOWKVKEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl3N4O2/c23-16-4-2-1-3-13(16)11-31-21-7-14-10-26-12-27-19(14)9-20(21)29-22(30)28-15-5-6-17(24)18(25)8-15/h1-10,12H,11H2,(H2,28,29,30).
What are the key properties of 1-[6-[(2-chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea?
1-[6-[(2-chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea has a molecular weight of 473.75 g/mol, XLogP of 6.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-chlorophenyl)methoxy]quinazolin-7-yl]-3-(3,4-dichlorophenyl)urea is sourced from PubChem (CID 122195814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).