6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine

C19H12FN5O2 — CID 89266547

IUPAC6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine
SMILESO=Nc1ccc(/C=C/c2nc(Nc3cccnc3)c3cc(F)ccc3n2)o1
InChIInChI=1S/C19H12FN5O2/c20-12-3-6-16-15(10-12)19(22-13-2-1-9-21-11-13)24-17(23-16)7-4-14-5-8-18(25-26)27-14/h1-11H,(H,22,23,24)/b7-4+
InChIKeyJLBDHXQQIWXCNT-QPJJXVBHSA-N
MW361.34 g/mol
LogP5.07
Rot. Bonds5

About 6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine

6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine (PubChem CID 89266547) has the molecular formula C19H12FN5O2 and a molecular weight of 361.34 g/mol. Its IUPAC name is 6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine
PubChem CID89266547
Molecular FormulaC19H12FN5O2
Molecular Weight361.34 g/mol
Exact Mass361.10
IUPAC Name6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine
SMILESO=Nc1ccc(/C=C/c2nc(Nc3cccnc3)c3cc(F)ccc3n2)o1
InChIInChI=1S/C19H12FN5O2/c20-12-3-6-16-15(10-12)19(22-13-2-1-9-21-11-13)24-17(23-16)7-4-14-5-8-18(25-26)27-14/h1-11H,(H,22,23,24)/b7-4+
InChIKeyJLBDHXQQIWXCNT-QPJJXVBHSA-N
XLogP5.07
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.34
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine (CID 89266547) is 6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine is O=Nc1ccc(/C=C/c2nc(Nc3cccnc3)c3cc(F)ccc3n2)o1.
What is the InChIKey of 6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine?
The InChIKey is JLBDHXQQIWXCNT-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H12FN5O2/c20-12-3-6-16-15(10-12)19(22-13-2-1-9-21-11-13)24-17(23-16)7-4-14-5-8-18(25-26)27-14/h1-11H,(H,22,23,24)/b7-4+.
What are the key properties of 6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine?
6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine has a molecular weight of 361.34 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(E)-2-(5-nitrosofuran-2-yl)ethenyl]-N-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 89266547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).