4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine

C26H27FN6O — CID 71044270

IUPAC4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2cc(CN3C[C@@H]4C[C@H]3CN4)ccc2n1
InChIInChI=1S/C26H27FN6O/c27-21-2-4-22-19(5-6-28-22)24(21)25-30-23-3-1-16(14-33-15-17-12-18(33)13-29-17)11-20(23)26(31-25)32-7-9-34-10-8-32/h1-6,11,17-18,28-29H,7-10,12-15H2/t17-,18-/m0/s1
InChIKeyCKZJAJQIPDEZHI-ROUUACIJSA-N
MW458.54 g/mol
LogP3.30
Rot. Bonds4

About 4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine

4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine (PubChem CID 71044270) has the molecular formula C26H27FN6O and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine
PubChem CID71044270
Molecular FormulaC26H27FN6O
Molecular Weight458.54 g/mol
Exact Mass458.22
IUPAC Name4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine
SMILESFc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2cc(CN3C[C@@H]4C[C@H]3CN4)ccc2n1
InChIInChI=1S/C26H27FN6O/c27-21-2-4-22-19(5-6-28-22)24(21)25-30-23-3-1-16(14-33-15-17-12-18(33)13-29-17)11-20(23)26(31-25)32-7-9-34-10-8-32/h1-6,11,17-18,28-29H,7-10,12-15H2/t17-,18-/m0/s1
InChIKeyCKZJAJQIPDEZHI-ROUUACIJSA-N
XLogP3.30
TPSA69.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine?
The IUPAC name of 4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine (CID 71044270) is 4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine?
The canonical SMILES for 4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine is Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2cc(CN3C[C@@H]4C[C@H]3CN4)ccc2n1.
What is the InChIKey of 4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine?
The InChIKey is CKZJAJQIPDEZHI-ROUUACIJSA-N. The full InChI is InChI=1S/C26H27FN6O/c27-21-2-4-22-19(5-6-28-22)24(21)25-30-23-3-1-16(14-33-15-17-12-18(33)13-29-17)11-20(23)26(31-25)32-7-9-34-10-8-32/h1-6,11,17-18,28-29H,7-10,12-15H2/t17-,18-/m0/s1.
What are the key properties of 4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine?
4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine has a molecular weight of 458.54 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]-2-(5-fluoro-1H-indol-4-yl)quinazolin-4-yl]morpholine is sourced from PubChem (CID 71044270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).