(2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine

C18H25N5O3S — CID 34060766

IUPAC(2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)C[C@@H](C)O1
InChIInChI=1S/C18H25N5O3S/c1-14-11-23(12-15(2)26-14)27(24,25)22-9-7-21(8-10-22)18-16-5-3-4-6-17(16)19-13-20-18/h3-6,13-15H,7-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyQQSYIMGGAGWRIU-HUUCEWRRSA-N
MW391.50 g/mol
LogP1.11
Rot. Bonds3

About (2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine

(2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine (PubChem CID 34060766) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine
PubChem CID34060766
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name(2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine
SMILESC[C@@H]1CN(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)C[C@@H](C)O1
InChIInChI=1S/C18H25N5O3S/c1-14-11-23(12-15(2)26-14)27(24,25)22-9-7-21(8-10-22)18-16-5-3-4-6-17(16)19-13-20-18/h3-6,13-15H,7-12H2,1-2H3/t14-,15-/m1/s1
InChIKeyQQSYIMGGAGWRIU-HUUCEWRRSA-N
XLogP1.11
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,6S)-2,6-dimethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonylmorpholine
CID 34060541
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonylmorpholine
CID 51330482
2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine
CID 42897711
2,6-dimethyl-4-[4-[2-(trifluoromethyl)quinolin-4-yl]piperazin-1-yl]sulfonylmorpholine
CID 42954865
2,6-dimethyl-4-[4-(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)piperazin-1-yl]sulfonylmorpholine
CID 56575476
4-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]quinazoline
CID 17455125
3-[[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylpiperazin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 30901046
4-(azepan-1-yl)quinazoline
CID 5207391
(2S)-2-methyl-4-(1-quinazolin-4-ylpiperidin-4-yl)morpholine
CID 95580716
1-methyl-4-quinazolin-4-ylpiperazine-2-carboxylic acid
CID 178170042
4-(3-chloro-4-methylpiperidin-1-yl)quinazoline
CID 102960852
N-[(3R)-1-quinazolin-4-ylpiperidin-3-yl]methanesulfonamide
CID 36834296

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine (CID 34060766) is (2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine is C[C@@H]1CN(S(=O)(=O)N2CCN(c3ncnc4ccccc34)CC2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine?
The InChIKey is QQSYIMGGAGWRIU-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-14-11-23(12-15(2)26-14)27(24,25)22-9-7-21(8-10-22)18-16-5-3-4-6-17(16)19-13-20-18/h3-6,13-15H,7-12H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine?
(2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine has a molecular weight of 391.50 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-(4-quinazolin-4-ylpiperazin-1-yl)sulfonylmorpholine is sourced from PubChem (CID 34060766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).