(2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine

C18H24N4O — CID 95580716

IUPAC(2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine
SMILESC[C@H]1CN(C2CCN(c3ncnc4ccccc34)CC2)CCO1
InChIInChI=1S/C18H24N4O/c1-14-12-22(10-11-23-14)15-6-8-21(9-7-15)18-16-4-2-3-5-17(16)19-13-20-18/h2-5,13-15H,6-12H2,1H3/t14-/m0/s1
InChIKeyOUINPDJAZKBBDB-AWEZNQCLSA-N
MW312.42 g/mol
LogP2.32
Rot. Bonds2

About (2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine

(2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine (PubChem CID 95580716) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is (2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name(2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine
PubChem CID95580716
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name(2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine
SMILESC[C@H]1CN(C2CCN(c3ncnc4ccccc34)CC2)CCO1
InChIInChI=1S/C18H24N4O/c1-14-12-22(10-11-23-14)15-6-8-21(9-7-15)18-16-4-2-3-5-17(16)19-13-20-18/h2-5,13-15H,6-12H2,1H3/t14-/m0/s1
InChIKeyOUINPDJAZKBBDB-AWEZNQCLSA-N
XLogP2.32
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-4-methylpiperidin-1-yl)quinazoline
CID 102960852
4-[4-(1-chloroethyl)piperidin-1-yl]quinazoline
CID 106838537
(2R,5R)-2,5-dimethyl-4-quinazolin-4-ylmorpholine
CID 51672171
4-quinazolin-4-ylmorpholine-2-carbonitrile
CID 78946478
4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline
CID 133279857
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)quinazoline
CID 49227812
4-[(9aR)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]quinazoline
CID 95155089
4-(azepan-1-yl)quinazoline
CID 5207391
2-methyl-4-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]morpholine
CID 91659969
2-methyl-4-[1-(2-methylsulfonylphenyl)piperidin-4-yl]morpholine
CID 84596072
(2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine
CID 34060766
4-(4-benzylpiperidin-1-yl)quinazoline
CID 1413843

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine?
The IUPAC name of (2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine (CID 95580716) is (2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine.
What is the SMILES notation for (2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine?
The canonical SMILES for (2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine is C[C@H]1CN(C2CCN(c3ncnc4ccccc34)CC2)CCO1.
What is the InChIKey of (2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine?
The InChIKey is OUINPDJAZKBBDB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O/c1-14-12-22(10-11-23-14)15-6-8-21(9-7-15)18-16-4-2-3-5-17(16)19-13-20-18/h2-5,13-15H,6-12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine?
(2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine has a molecular weight of 312.42 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine is sourced from PubChem (CID 95580716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).