(2R)-2-phenyl-4-quinazolin-4-ylmorpholine

C18H17N3O — CID 36722979

IUPAC(2R)-2-phenyl-4-quinazolin-4-ylmorpholine
SMILESc1ccc([C@@H]2CN(c3ncnc4ccccc34)CCO2)cc1
InChIInChI=1S/C18H17N3O/c1-2-6-14(7-3-1)17-12-21(10-11-22-17)18-15-8-4-5-9-16(15)19-13-20-18/h1-9,13,17H,10-12H2/t17-/m0/s1
InChIKeyBQLRZHDZJVANAB-KRWDZBQOSA-N
MW291.35 g/mol
LogP3.21
Rot. Bonds2

About (2R)-2-phenyl-4-quinazolin-4-ylmorpholine

(2R)-2-phenyl-4-quinazolin-4-ylmorpholine (PubChem CID 36722979) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is (2R)-2-phenyl-4-quinazolin-4-ylmorpholine.

Molecular Properties

Compound Name(2R)-2-phenyl-4-quinazolin-4-ylmorpholine
PubChem CID36722979
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name(2R)-2-phenyl-4-quinazolin-4-ylmorpholine
SMILESc1ccc([C@@H]2CN(c3ncnc4ccccc34)CCO2)cc1
InChIInChI=1S/C18H17N3O/c1-2-6-14(7-3-1)17-12-21(10-11-22-17)18-15-8-4-5-9-16(15)19-13-20-18/h1-9,13,17H,10-12H2/t17-/m0/s1
InChIKeyBQLRZHDZJVANAB-KRWDZBQOSA-N
XLogP3.21
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-4-quinazolin-4-ylmorpholine?
The IUPAC name of (2R)-2-phenyl-4-quinazolin-4-ylmorpholine (CID 36722979) is (2R)-2-phenyl-4-quinazolin-4-ylmorpholine.
What is the SMILES notation for (2R)-2-phenyl-4-quinazolin-4-ylmorpholine?
The canonical SMILES for (2R)-2-phenyl-4-quinazolin-4-ylmorpholine is c1ccc([C@@H]2CN(c3ncnc4ccccc34)CCO2)cc1.
What is the InChIKey of (2R)-2-phenyl-4-quinazolin-4-ylmorpholine?
The InChIKey is BQLRZHDZJVANAB-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17N3O/c1-2-6-14(7-3-1)17-12-21(10-11-22-17)18-15-8-4-5-9-16(15)19-13-20-18/h1-9,13,17H,10-12H2/t17-/m0/s1.
What are the key properties of (2R)-2-phenyl-4-quinazolin-4-ylmorpholine?
(2R)-2-phenyl-4-quinazolin-4-ylmorpholine has a molecular weight of 291.35 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-4-quinazolin-4-ylmorpholine is sourced from PubChem (CID 36722979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).