N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine

C22H26N4O3S — CID 51943069

IUPACN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine
SMILESC[C@@H]1CN(S(=O)(=O)CCNc2nc(-c3ccccc3)nc3ccccc23)C[C@@H](C)O1
InChIInChI=1S/C22H26N4O3S/c1-16-14-26(15-17(2)29-16)30(27,28)13-12-23-22-19-10-6-7-11-20(19)24-21(25-22)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3,(H,23,24,25)/t16-,17-/m1/s1
InChIKeySEAPQEPLXWHGHI-IAGOWNOFSA-N
MW426.54 g/mol
LogP3.15
Rot. Bonds6

About N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine

N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine (PubChem CID 51943069) has the molecular formula C22H26N4O3S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine
PubChem CID51943069
Molecular FormulaC22H26N4O3S
Molecular Weight426.54 g/mol
Exact Mass426.17
IUPAC NameN-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine
SMILESC[C@@H]1CN(S(=O)(=O)CCNc2nc(-c3ccccc3)nc3ccccc23)C[C@@H](C)O1
InChIInChI=1S/C22H26N4O3S/c1-16-14-26(15-17(2)29-16)30(27,28)13-12-23-22-19-10-6-7-11-20(19)24-21(25-22)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3,(H,23,24,25)/t16-,17-/m1/s1
InChIKeySEAPQEPLXWHGHI-IAGOWNOFSA-N
XLogP3.15
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine?
The IUPAC name of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine (CID 51943069) is N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine?
The canonical SMILES for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine is C[C@@H]1CN(S(=O)(=O)CCNc2nc(-c3ccccc3)nc3ccccc23)C[C@@H](C)O1.
What is the InChIKey of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine?
The InChIKey is SEAPQEPLXWHGHI-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H26N4O3S/c1-16-14-26(15-17(2)29-16)30(27,28)13-12-23-22-19-10-6-7-11-20(19)24-21(25-22)18-8-4-3-5-9-18/h3-11,16-17H,12-15H2,1-2H3,(H,23,24,25)/t16-,17-/m1/s1.
What are the key properties of N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine?
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine has a molecular weight of 426.54 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylethyl]-2-phenylquinazolin-4-amine is sourced from PubChem (CID 51943069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).