2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine

C24H29N5O3S — CID 42897711

IUPAC2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)c4ccccc4n3)CC2)CC(C)O1
InChIInChI=1S/C24H29N5O3S/c1-18-16-29(17-19(2)32-18)33(30,31)28-14-12-27(13-15-28)24-25-22-11-7-6-10-21(22)23(26-24)20-8-4-3-5-9-20/h3-11,18-19H,12-17H2,1-2H3
InChIKeyYHELUFIHGMBKNG-UHFFFAOYSA-N
MW467.60 g/mol
LogP2.77
Rot. Bonds4

About 2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine

2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine (PubChem CID 42897711) has the molecular formula C24H29N5O3S and a molecular weight of 467.60 g/mol. Its IUPAC name is 2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine
PubChem CID42897711
Molecular FormulaC24H29N5O3S
Molecular Weight467.60 g/mol
Exact Mass467.20
IUPAC Name2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine
SMILESCC1CN(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)c4ccccc4n3)CC2)CC(C)O1
InChIInChI=1S/C24H29N5O3S/c1-18-16-29(17-19(2)32-18)33(30,31)28-14-12-27(13-15-28)24-25-22-11-7-6-10-21(22)23(26-24)20-8-4-3-5-9-20/h3-11,18-19H,12-17H2,1-2H3
InChIKeyYHELUFIHGMBKNG-UHFFFAOYSA-N
XLogP2.77
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.60
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine (CID 42897711) is 2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine is CC1CN(S(=O)(=O)N2CCN(c3nc(-c4ccccc4)c4ccccc4n3)CC2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine?
The InChIKey is YHELUFIHGMBKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3S/c1-18-16-29(17-19(2)32-18)33(30,31)28-14-12-27(13-15-28)24-25-22-11-7-6-10-21(22)23(26-24)20-8-4-3-5-9-20/h3-11,18-19H,12-17H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine?
2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine has a molecular weight of 467.60 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[4-(4-phenylquinazolin-2-yl)piperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 42897711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).