4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine

C15H15ClN4O3S — CID 86634154

IUPAC4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine
SMILESCS(=O)(=O)n1ccc2c3nc(Cl)nc(N4CCOCC4)c3ccc21
InChIInChI=1S/C15H15ClN4O3S/c1-24(21,22)20-5-4-10-12(20)3-2-11-13(10)17-15(16)18-14(11)19-6-8-23-9-7-19/h2-5H,6-9H2,1H3
InChIKeyRTQUXYOVTXIFFO-UHFFFAOYSA-N
MW366.83 g/mol
LogP1.88
Rot. Bonds2

About 4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine

4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine (PubChem CID 86634154) has the molecular formula C15H15ClN4O3S and a molecular weight of 366.83 g/mol. Its IUPAC name is 4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine
PubChem CID86634154
Molecular FormulaC15H15ClN4O3S
Molecular Weight366.83 g/mol
Exact Mass366.06
IUPAC Name4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine
SMILESCS(=O)(=O)n1ccc2c3nc(Cl)nc(N4CCOCC4)c3ccc21
InChIInChI=1S/C15H15ClN4O3S/c1-24(21,22)20-5-4-10-12(20)3-2-11-13(10)17-15(16)18-14(11)19-6-8-23-9-7-19/h2-5H,6-9H2,1H3
InChIKeyRTQUXYOVTXIFFO-UHFFFAOYSA-N
XLogP1.88
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.83
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine?
The IUPAC name of 4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine (CID 86634154) is 4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine.
What is the SMILES notation for 4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine?
The canonical SMILES for 4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine is CS(=O)(=O)n1ccc2c3nc(Cl)nc(N4CCOCC4)c3ccc21.
What is the InChIKey of 4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine?
The InChIKey is RTQUXYOVTXIFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3S/c1-24(21,22)20-5-4-10-12(20)3-2-11-13(10)17-15(16)18-14(11)19-6-8-23-9-7-19/h2-5H,6-9H2,1H3.
What are the key properties of 4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine?
4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine has a molecular weight of 366.83 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-7-methylsulfonylpyrrolo[2,3-h]quinazolin-4-yl)morpholine is sourced from PubChem (CID 86634154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).