1-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea

C23H19FN4O2 — CID 118709303

IUPAC1-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc3ncncc3cc2OCc2ccccc2F)cc1
InChIInChI=1S/C23H19FN4O2/c1-15-6-8-18(9-7-15)27-23(29)28-21-11-20-17(12-25-14-26-20)10-22(21)30-13-16-4-2-3-5-19(16)24/h2-12,14H,13H2,1H3,(H2,27,28,29)
InChIKeyOTWGADCQLWXFJU-UHFFFAOYSA-N
MW402.43 g/mol
LogP5.30
Rot. Bonds5

About 1-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea

1-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea (PubChem CID 118709303) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 1-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea
PubChem CID118709303
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name1-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)Nc2cc3ncncc3cc2OCc2ccccc2F)cc1
InChIInChI=1S/C23H19FN4O2/c1-15-6-8-18(9-7-15)27-23(29)28-21-11-20-17(12-25-14-26-20)10-22(21)30-13-16-4-2-3-5-19(16)24/h2-12,14H,13H2,1H3,(H2,27,28,29)
InChIKeyOTWGADCQLWXFJU-UHFFFAOYSA-N
XLogP5.30
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.43
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea (CID 118709303) is 1-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)Nc2cc3ncncc3cc2OCc2ccccc2F)cc1.
What is the InChIKey of 1-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea?
The InChIKey is OTWGADCQLWXFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-15-6-8-18(9-7-15)27-23(29)28-21-11-20-17(12-25-14-26-20)10-22(21)30-13-16-4-2-3-5-19(16)24/h2-12,14H,13H2,1H3,(H2,27,28,29).
What are the key properties of 1-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea?
1-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea has a molecular weight of 402.43 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-fluorophenyl)methoxy]quinazolin-7-yl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 118709303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).