1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea

C23H16F4N4O2 — CID 122195827

IUPAC1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc2ncncc2cc1OCc1cccc(F)c1
InChIInChI=1S/C23H16F4N4O2/c24-17-3-1-2-14(8-17)12-33-21-9-15-11-28-13-29-19(15)10-20(21)31-22(32)30-18-6-4-16(5-7-18)23(25,26)27/h1-11,13H,12H2,(H2,30,31,32)
InChIKeyIDPKOHZWXSGMIE-UHFFFAOYSA-N
MW456.40 g/mol
LogP6.01
Rot. Bonds5

About 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 122195827) has the molecular formula C23H16F4N4O2 and a molecular weight of 456.40 g/mol. Its IUPAC name is 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID122195827
Molecular FormulaC23H16F4N4O2
Molecular Weight456.40 g/mol
Exact Mass456.12
IUPAC Name1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc2ncncc2cc1OCc1cccc(F)c1
InChIInChI=1S/C23H16F4N4O2/c24-17-3-1-2-14(8-17)12-33-21-9-15-11-28-13-29-19(15)10-20(21)31-22(32)30-18-6-4-16(5-7-18)23(25,26)27/h1-11,13H,12H2,(H2,30,31,32)
InChIKeyIDPKOHZWXSGMIE-UHFFFAOYSA-N
XLogP6.01
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.40
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 122195827) is 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea is O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc2ncncc2cc1OCc1cccc(F)c1.
What is the InChIKey of 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is IDPKOHZWXSGMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F4N4O2/c24-17-3-1-2-14(8-17)12-33-21-9-15-11-28-13-29-19(15)10-20(21)31-22(32)30-18-6-4-16(5-7-18)23(25,26)27/h1-11,13H,12H2,(H2,30,31,32).
What are the key properties of 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 456.40 g/mol, XLogP of 6.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 122195827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).