4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine

C19H25N7OS — CID 55491139

IUPAC4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
SMILESCCCCn1nnnc1CSc1nc(CN2CCOCC2)nc2ccccc12
InChIInChI=1S/C19H25N7OS/c1-2-3-8-26-18(22-23-24-26)14-28-19-15-6-4-5-7-16(15)20-17(21-19)13-25-9-11-27-12-10-25/h4-7H,2-3,8-14H2,1H3
InChIKeySSPNANDEMHSEKB-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.54
Rot. Bonds8

About 4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine

4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine (PubChem CID 55491139) has the molecular formula C19H25N7OS and a molecular weight of 399.52 g/mol. Its IUPAC name is 4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
PubChem CID55491139
Molecular FormulaC19H25N7OS
Molecular Weight399.52 g/mol
Exact Mass399.18
IUPAC Name4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
SMILESCCCCn1nnnc1CSc1nc(CN2CCOCC2)nc2ccccc12
InChIInChI=1S/C19H25N7OS/c1-2-3-8-26-18(22-23-24-26)14-28-19-15-6-4-5-7-16(15)20-17(21-19)13-25-9-11-27-12-10-25/h4-7H,2-3,8-14H2,1H3
InChIKeySSPNANDEMHSEKB-UHFFFAOYSA-N
XLogP2.54
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
The IUPAC name of 4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine (CID 55491139) is 4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine is CCCCn1nnnc1CSc1nc(CN2CCOCC2)nc2ccccc12.
What is the InChIKey of 4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
The InChIKey is SSPNANDEMHSEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7OS/c1-2-3-8-26-18(22-23-24-26)14-28-19-15-6-4-5-7-16(15)20-17(21-19)13-25-9-11-27-12-10-25/h4-7H,2-3,8-14H2,1H3.
What are the key properties of 4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine?
4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine has a molecular weight of 399.52 g/mol, XLogP of 2.54, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(1-butyltetrazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine is sourced from PubChem (CID 55491139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).