4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine

C24H22FN5O — CID 118954794

IUPAC4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
SMILESCc1nccnc1Cc1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1
InChIInChI=1S/C24H22FN5O/c1-16-22(27-7-6-26-16)13-17-2-5-21(25)20(12-17)24-19-4-3-18(14-23(19)28-15-29-24)30-8-10-31-11-9-30/h2-7,12,14-15H,8-11,13H2,1H3
InChIKeyKRHAYZCIDMXCEA-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.96
Rot. Bonds4

About 4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine

4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine (PubChem CID 118954794) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
PubChem CID118954794
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
SMILESCc1nccnc1Cc1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1
InChIInChI=1S/C24H22FN5O/c1-16-22(27-7-6-26-16)13-17-2-5-21(25)20(12-17)24-19-4-3-18(14-23(19)28-15-29-24)30-8-10-31-11-9-30/h2-7,12,14-15H,8-11,13H2,1H3
InChIKeyKRHAYZCIDMXCEA-UHFFFAOYSA-N
XLogP3.96
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine 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 4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine (CID 118954794) is 4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine is Cc1nccnc1Cc1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1.
What is the InChIKey of 4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine?
The InChIKey is KRHAYZCIDMXCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-16-22(27-7-6-26-16)13-17-2-5-21(25)20(12-17)24-19-4-3-18(14-23(19)28-15-29-24)30-8-10-31-11-9-30/h2-7,12,14-15H,8-11,13H2,1H3.
What are the key properties of 4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine?
4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine has a molecular weight of 415.47 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-fluoro-5-[(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 118954794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).