4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine

C18H14ClF2N3O — CID 175076903

IUPAC4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine
SMILESFc1cc(Cl)ccc1-c1ncnc2c(F)c(N3CCOCC3)ccc12
InChIInChI=1S/C18H14ClF2N3O/c19-11-1-2-12(14(20)9-11)17-13-3-4-15(24-5-7-25-8-6-24)16(21)18(13)23-10-22-17/h1-4,9-10H,5-8H2
InChIKeyAQMNKURRSDHCNA-UHFFFAOYSA-N
MW361.78 g/mol
LogP4.07
Rot. Bonds2

About 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine

4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine (PubChem CID 175076903) has the molecular formula C18H14ClF2N3O and a molecular weight of 361.78 g/mol. Its IUPAC name is 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine
PubChem CID175076903
Molecular FormulaC18H14ClF2N3O
Molecular Weight361.78 g/mol
Exact Mass361.08
IUPAC Name4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine
SMILESFc1cc(Cl)ccc1-c1ncnc2c(F)c(N3CCOCC3)ccc12
InChIInChI=1S/C18H14ClF2N3O/c19-11-1-2-12(14(20)9-11)17-13-3-4-15(24-5-7-25-8-6-24)16(21)18(13)23-10-22-17/h1-4,9-10H,5-8H2
InChIKeyAQMNKURRSDHCNA-UHFFFAOYSA-N
XLogP4.07
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.78
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

11-(4-chloro-2-fluorophenyl)-13-morpholin-4-yl-3,9,12-triazatetracyclo[8.4.0.03,8.04,6]tetradeca-1(14),8,10,12-tetraen-2-one
CID 177152329
4-[5-(4-chloro-2-fluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine;2-methylpyridine
CID 157045652
4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine
CID 157044800
7-(4-chloro-2-fluorophenyl)-N,N-dimethyl-5-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-2-amine
CID 168887981
5-chloro-2-(1,4-oxazepan-4-yl)aniline
CID 62987959
(S)-[2-chloro-4-fluoro-5-(8-fluoro-7-morpholin-4-ylcinnolin-4-yl)phenyl]-(6-methoxypyridazin-3-yl)methanol
CID 164929910
5-chloro-2-morpholin-4-ylbenzenecarbothioamide
CID 62492802
(4-chloro-5-fluoro-3-pyridinyl)-[4-fluoro-3-(7-morpholin-4-ylquinazolin-4-yl)phenyl]methanol
CID 86294562
[2-chloro-4-fluoro-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]-pyrazin-2-ylmethanol
CID 118954905
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-methylpyrazole;oxane
CID 157044828
[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol
CID 114845567
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidine;1-cyclopropylpyrazole;oxane
CID 166122275

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine?
The IUPAC name of 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine (CID 175076903) is 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine.
What is the SMILES notation for 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine?
The canonical SMILES for 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine is Fc1cc(Cl)ccc1-c1ncnc2c(F)c(N3CCOCC3)ccc12.
What is the InChIKey of 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine?
The InChIKey is AQMNKURRSDHCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O/c19-11-1-2-12(14(20)9-11)17-13-3-4-15(24-5-7-25-8-6-24)16(21)18(13)23-10-22-17/h1-4,9-10H,5-8H2.
What are the key properties of 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine?
4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine has a molecular weight of 361.78 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-2-fluorophenyl)-8-fluoroquinazolin-7-yl]morpholine is sourced from PubChem (CID 175076903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).