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

C24H22FN5O2 — CID 144744787

IUPAC4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
SMILESCOc1nccnc1Cc1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1
InChIInChI=1S/C24H22FN5O2/c1-31-24-22(26-6-7-27-24)13-16-2-5-20(25)19(12-16)23-18-4-3-17(14-21(18)28-15-29-23)30-8-10-32-11-9-30/h2-7,12,14-15H,8-11,13H2,1H3
InChIKeyZTFUNMZCLUANAG-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.66
Rot. Bonds5

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

4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine (PubChem CID 144744787) has the molecular formula C24H22FN5O2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
PubChem CID144744787
Molecular FormulaC24H22FN5O2
Molecular Weight431.47 g/mol
Exact Mass431.18
IUPAC Name4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
SMILESCOc1nccnc1Cc1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1
InChIInChI=1S/C24H22FN5O2/c1-31-24-22(26-6-7-27-24)13-16-2-5-20(25)19(12-16)23-18-4-3-17(14-21(18)28-15-29-23)30-8-10-32-11-9-30/h2-7,12,14-15H,8-11,13H2,1H3
InChIKeyZTFUNMZCLUANAG-UHFFFAOYSA-N
XLogP3.66
TPSA73.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[2-fluoro-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]quinazolin-7-yl]morpholine
CID 135268460
4-[4-[2-fluoro-5-[methoxy-(3-methylpyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine
CID 118954815
ethane;4-[4-[2-fluoro-5-[1-(6-methoxypyridazin-3-yl)ethyl]phenyl]quinazolin-7-yl]morpholine
CID 144744804
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(4-methoxypyridazin-3-yl)methanol
CID 118954974
N-[1-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-3-methylbut-2-en-2-yl]prop-2-en-1-imine;propan-1-ol
CID 144744910
ethane;[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(3-methylpyridazin-4-yl)methanamine
CID 144744998
[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methanol
CID 118955010
4-[4-[5-[1-(3,5-difluoro-4-pyridinyl)prop-2-ynyl]-2-fluorophenyl]quinazolin-7-yl]morpholine
CID 123743146
[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-(6-methoxy-4-methylpyridazin-3-yl)methanol
CID 144744982
(5,6-dimethylpyrazin-2-yl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 118954958
[3-(difluoromethoxy)-2-pyridinyl]-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86292452
4-[4-[2,4-difluoro-5-(imidazo[1,2-a]pyrazin-6-ylmethyl)phenyl]quinazolin-7-yl]morpholine
CID 135268702

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine (CID 144744787) is 4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine is COc1nccnc1Cc1ccc(F)c(-c2ncnc3cc(N4CCOCC4)ccc23)c1.
What is the InChIKey of 4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine?
The InChIKey is ZTFUNMZCLUANAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O2/c1-31-24-22(26-6-7-27-24)13-16-2-5-20(25)19(12-16)23-18-4-3-17(14-21(18)28-15-29-23)30-8-10-32-11-9-30/h2-7,12,14-15H,8-11,13H2,1H3.
What are the key properties of 4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine?
4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine has a molecular weight of 431.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-fluoro-5-[(3-methoxypyrazin-2-yl)methyl]phenyl]quinazolin-7-yl]morpholine is sourced from PubChem (CID 144744787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).