2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol

C16H23N3OS — CID 64808507

IUPAC2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol
SMILESCCNC(C)(CO)CCCSc1ncnc2ccccc12
InChIInChI=1S/C16H23N3OS/c1-3-19-16(2,11-20)9-6-10-21-15-13-7-4-5-8-14(13)17-12-18-15/h4-5,7-8,12,19-20H,3,6,9-11H2,1-2H3
InChIKeyCNKMQXRLXLSVEX-UHFFFAOYSA-N
MW305.45 g/mol
LogP2.86
Rot. Bonds8

About 2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol

2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol (PubChem CID 64808507) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol
PubChem CID64808507
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol
SMILESCCNC(C)(CO)CCCSc1ncnc2ccccc12
InChIInChI=1S/C16H23N3OS/c1-3-19-16(2,11-20)9-6-10-21-15-13-7-4-5-8-14(13)17-12-18-15/h4-5,7-8,12,19-20H,3,6,9-11H2,1-2H3
InChIKeyCNKMQXRLXLSVEX-UHFFFAOYSA-N
XLogP2.86
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol?
The IUPAC name of 2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol (CID 64808507) is 2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol.
What is the SMILES notation for 2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol?
The canonical SMILES for 2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol is CCNC(C)(CO)CCCSc1ncnc2ccccc12.
What is the InChIKey of 2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol?
The InChIKey is CNKMQXRLXLSVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-3-19-16(2,11-20)9-6-10-21-15-13-7-4-5-8-14(13)17-12-18-15/h4-5,7-8,12,19-20H,3,6,9-11H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol?
2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol has a molecular weight of 305.45 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-5-quinazolin-4-ylsulfanylpentan-1-ol is sourced from PubChem (CID 64808507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).