1-(3-chlorophenyl)-3-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]urea

C22H16ClFN4O2 — CID 118709305

IUPAC1-(3-chlorophenyl)-3-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cc2ncncc2cc1OCc1ccccc1F
InChIInChI=1S/C22H16ClFN4O2/c23-16-5-3-6-17(9-16)27-22(29)28-20-10-19-15(11-25-13-26-19)8-21(20)30-12-14-4-1-2-7-18(14)24/h1-11,13H,12H2,(H2,27,28,29)
InChIKeyZJIIDJPMZPVSFP-UHFFFAOYSA-N
MW422.85 g/mol
LogP5.65
Rot. Bonds5

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

1-(3-chlorophenyl)-3-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]urea (PubChem CID 118709305) has the molecular formula C22H16ClFN4O2 and a molecular weight of 422.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]urea
PubChem CID118709305
Molecular FormulaC22H16ClFN4O2
Molecular Weight422.85 g/mol
Exact Mass422.09
IUPAC Name1-(3-chlorophenyl)-3-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]urea
SMILESO=C(Nc1cccc(Cl)c1)Nc1cc2ncncc2cc1OCc1ccccc1F
InChIInChI=1S/C22H16ClFN4O2/c23-16-5-3-6-17(9-16)27-22(29)28-20-10-19-15(11-25-13-26-19)8-21(20)30-12-14-4-1-2-7-18(14)24/h1-11,13H,12H2,(H2,27,28,29)
InChIKeyZJIIDJPMZPVSFP-UHFFFAOYSA-N
XLogP5.65
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.85
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[(4-chlorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea
CID 122195832
1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 122195827
2-[[2-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide
CID 171062561
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
CID 64896037
1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea
CID 156854371
1-(3-chlorophenyl)-3-(2,4-difluorophenyl)urea
CID 898171
1-(3-chlorophenyl)-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17381546
1-(3-chloro-4-fluorophenyl)-3-(3-chlorophenyl)urea
CID 742623
1-(5-amino-2-fluorophenyl)-3-(3-chlorophenyl)urea
CID 16777079
N-[5-(3-chloroanilino)-2-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 113033314
1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea
CID 156854116

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]urea (CID 118709305) is 1-(3-chlorophenyl)-3-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]urea is O=C(Nc1cccc(Cl)c1)Nc1cc2ncncc2cc1OCc1ccccc1F.
What is the InChIKey of 1-(3-chlorophenyl)-3-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]urea?
The InChIKey is ZJIIDJPMZPVSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN4O2/c23-16-5-3-6-17(9-16)27-22(29)28-20-10-19-15(11-25-13-26-19)8-21(20)30-12-14-4-1-2-7-18(14)24/h1-11,13H,12H2,(H2,27,28,29).
What are the key properties of 1-(3-chlorophenyl)-3-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]urea?
1-(3-chlorophenyl)-3-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]urea has a molecular weight of 422.85 g/mol, XLogP of 5.65, 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-[(2-fluorophenyl)methoxy]quinazolin-7-yl]urea is sourced from PubChem (CID 118709305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).