4-(2-methylsulfanylquinazolin-4-yl)morpholine

C13H15N3OS — CID 658307

IUPAC4-(2-methylsulfanylquinazolin-4-yl)morpholine
SMILESCSc1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C13H15N3OS/c1-18-13-14-11-5-3-2-4-10(11)12(15-13)16-6-8-17-9-7-16/h2-5H,6-9H2,1H3
InChIKeyRCRGZDVYSFJDIW-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.19
Rot. Bonds2

About 4-(2-methylsulfanylquinazolin-4-yl)morpholine

4-(2-methylsulfanylquinazolin-4-yl)morpholine (PubChem CID 658307) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-(2-methylsulfanylquinazolin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-methylsulfanylquinazolin-4-yl)morpholine
PubChem CID658307
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name4-(2-methylsulfanylquinazolin-4-yl)morpholine
SMILESCSc1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C13H15N3OS/c1-18-13-14-11-5-3-2-4-10(11)12(15-13)16-6-8-17-9-7-16/h2-5H,6-9H2,1H3
InChIKeyRCRGZDVYSFJDIW-UHFFFAOYSA-N
XLogP2.19
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylsulfanylquinazolin-4-yl)morpholine?
The IUPAC name of 4-(2-methylsulfanylquinazolin-4-yl)morpholine (CID 658307) is 4-(2-methylsulfanylquinazolin-4-yl)morpholine.
What is the SMILES notation for 4-(2-methylsulfanylquinazolin-4-yl)morpholine?
The canonical SMILES for 4-(2-methylsulfanylquinazolin-4-yl)morpholine is CSc1nc(N2CCOCC2)c2ccccc2n1.
What is the InChIKey of 4-(2-methylsulfanylquinazolin-4-yl)morpholine?
The InChIKey is RCRGZDVYSFJDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-18-13-14-11-5-3-2-4-10(11)12(15-13)16-6-8-17-9-7-16/h2-5H,6-9H2,1H3.
What are the key properties of 4-(2-methylsulfanylquinazolin-4-yl)morpholine?
4-(2-methylsulfanylquinazolin-4-yl)morpholine has a molecular weight of 261.35 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylsulfanylquinazolin-4-yl)morpholine is sourced from PubChem (CID 658307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).