4-(4-quinolin-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine

C21H22N4OS — CID 142737248

IUPAC4-(4-quinolin-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine
SMILESc1ccc2nc(Sc3nc(N4CCOCC4)nc4c3CCCC4)ccc2c1
InChIInChI=1S/C21H22N4OS/c1-3-7-17-15(5-1)9-10-19(22-17)27-20-16-6-2-4-8-18(16)23-21(24-20)25-11-13-26-14-12-25/h1,3,5,7,9-10H,2,4,6,8,11-14H2
InChIKeySQMIRZXSQOCPSI-UHFFFAOYSA-N
MW378.50 g/mol
LogP3.89
Rot. Bonds3

About 4-(4-quinolin-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine

4-(4-quinolin-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine (PubChem CID 142737248) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 4-(4-quinolin-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine.

Molecular Properties

Compound Name4-(4-quinolin-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine
PubChem CID142737248
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name4-(4-quinolin-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine
SMILESc1ccc2nc(Sc3nc(N4CCOCC4)nc4c3CCCC4)ccc2c1
InChIInChI=1S/C21H22N4OS/c1-3-7-17-15(5-1)9-10-19(22-17)27-20-16-6-2-4-8-18(16)23-21(24-20)25-11-13-26-14-12-25/h1,3,5,7,9-10H,2,4,6,8,11-14H2
InChIKeySQMIRZXSQOCPSI-UHFFFAOYSA-N
XLogP3.89
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-quinolin-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine?
The IUPAC name of 4-(4-quinolin-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine (CID 142737248) is 4-(4-quinolin-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine.
What is the SMILES notation for 4-(4-quinolin-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine?
The canonical SMILES for 4-(4-quinolin-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine is c1ccc2nc(Sc3nc(N4CCOCC4)nc4c3CCCC4)ccc2c1.
What is the InChIKey of 4-(4-quinolin-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine?
The InChIKey is SQMIRZXSQOCPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-3-7-17-15(5-1)9-10-19(22-17)27-20-16-6-2-4-8-18(16)23-21(24-20)25-11-13-26-14-12-25/h1,3,5,7,9-10H,2,4,6,8,11-14H2.
What are the key properties of 4-(4-quinolin-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine?
4-(4-quinolin-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine has a molecular weight of 378.50 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-quinolin-2-ylsulfanyl-5,6,7,8-tetrahydroquinazolin-2-yl)morpholine is sourced from PubChem (CID 142737248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).