4-[2-(4-chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine

C18H18ClF2N3O — CID 71453179

IUPAC4-[2-(4-chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine
SMILESFc1cc(-c2nc3c(c(N4CCOCC4)n2)CCCC3)c(F)cc1Cl
InChIInChI=1S/C18H18ClF2N3O/c19-13-10-14(20)12(9-15(13)21)17-22-16-4-2-1-3-11(16)18(23-17)24-5-7-25-8-6-24/h9-10H,1-8H2
InChIKeyXAENKMLQUJRZPV-UHFFFAOYSA-N
MW365.81 g/mol
LogP3.79
Rot. Bonds2

About 4-[2-(4-chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine

4-[2-(4-chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine (PubChem CID 71453179) has the molecular formula C18H18ClF2N3O and a molecular weight of 365.81 g/mol. Its IUPAC name is 4-[2-(4-chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-(4-chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine
PubChem CID71453179
Molecular FormulaC18H18ClF2N3O
Molecular Weight365.81 g/mol
Exact Mass365.11
IUPAC Name4-[2-(4-chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine
SMILESFc1cc(-c2nc3c(c(N4CCOCC4)n2)CCCC3)c(F)cc1Cl
InChIInChI=1S/C18H18ClF2N3O/c19-13-10-14(20)12(9-15(13)21)17-22-16-4-2-1-3-11(16)18(23-17)24-5-7-25-8-6-24/h9-10H,1-8H2
InChIKeyXAENKMLQUJRZPV-UHFFFAOYSA-N
XLogP3.79
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(4-Chloro-phenyl)-2-morpholin-4-yl-quinazoline
CID 741297
6-chloro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 52943246
2-(4-chlorophenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinazolinamine
CID 1181447
4-[2-(4-Chloro-2,5-difluorophenyl)-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]morpholine
CID 71456703
4-[2-(4-Chloro-2,5-difluorophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]morpholine
CID 71458547
4-[2-(4-chloro-2,5-difluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]morpholine
CID 71462085
2-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 1591115
[2-(4-Chloro-phenyl)-quinazolin-4-yl]-bis-(2-methoxy-ethyl)-amine
CID 1591123
7-chloro-2-[2-[(4-fluorophenyl)methyl]-5,6-dimethylpyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 52950156
4-[2-(2-Chlorophenyl)quinazolin-4-yl]morpholine
CID 710949
2-(3-chlorophenyl)-N-[3-(4-morpholinyl)propyl]-4-quinazolinamine
CID 1642427
2-(4-Chloro-2,5-difluorophenyl)-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine
CID 71451374

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine?
The IUPAC name of 4-[2-(4-chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine (CID 71453179) is 4-[2-(4-chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine.
What is the SMILES notation for 4-[2-(4-chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine?
The canonical SMILES for 4-[2-(4-chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine is Fc1cc(-c2nc3c(c(N4CCOCC4)n2)CCCC3)c(F)cc1Cl.
What is the InChIKey of 4-[2-(4-chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine?
The InChIKey is XAENKMLQUJRZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF2N3O/c19-13-10-14(20)12(9-15(13)21)17-22-16-4-2-1-3-11(16)18(23-17)24-5-7-25-8-6-24/h9-10H,1-8H2.
What are the key properties of 4-[2-(4-chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine?
4-[2-(4-chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine has a molecular weight of 365.81 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chloro-2,5-difluorophenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]morpholine is sourced from PubChem (CID 71453179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).