1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea

C26H19FN4O2 — CID 122195826

IUPAC1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea
SMILESO=C(Nc1cc2ncncc2cc1OCc1cccc(F)c1)Nc1cccc2ccccc12
InChIInChI=1S/C26H19FN4O2/c27-20-8-3-5-17(11-20)15-33-25-12-19-14-28-16-29-23(19)13-24(25)31-26(32)30-22-10-4-7-18-6-1-2-9-21(18)22/h1-14,16H,15H2,(H2,30,31,32)
InChIKeyNSKONMUHTQGLCV-UHFFFAOYSA-N
MW438.46 g/mol
LogP6.15
Rot. Bonds5

About 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea

1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea (PubChem CID 122195826) has the molecular formula C26H19FN4O2 and a molecular weight of 438.46 g/mol. Its IUPAC name is 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea
PubChem CID122195826
Molecular FormulaC26H19FN4O2
Molecular Weight438.46 g/mol
Exact Mass438.15
IUPAC Name1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea
SMILESO=C(Nc1cc2ncncc2cc1OCc1cccc(F)c1)Nc1cccc2ccccc12
InChIInChI=1S/C26H19FN4O2/c27-20-8-3-5-17(11-20)15-33-25-12-19-14-28-16-29-23(19)13-24(25)31-26(32)30-22-10-4-7-18-6-1-2-9-21(18)22/h1-14,16H,15H2,(H2,30,31,32)
InChIKeyNSKONMUHTQGLCV-UHFFFAOYSA-N
XLogP6.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.46
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea (CID 122195826) is 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea is O=C(Nc1cc2ncncc2cc1OCc1cccc(F)c1)Nc1cccc2ccccc12.
What is the InChIKey of 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea?
The InChIKey is NSKONMUHTQGLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O2/c27-20-8-3-5-17(11-20)15-33-25-12-19-14-28-16-29-23(19)13-24(25)31-26(32)30-22-10-4-7-18-6-1-2-9-21(18)22/h1-14,16H,15H2,(H2,30,31,32).
What are the key properties of 1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea?
1-[6-[(3-fluorophenyl)methoxy]quinazolin-7-yl]-3-naphthalen-1-ylurea has a molecular weight of 438.46 g/mol, XLogP of 6.15, 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-naphthalen-1-ylurea is sourced from PubChem (CID 122195826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).