N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine

C15H19N3OS — CID 62577012

IUPACN-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine
SMILESc1ccc2c(SCCNCC3CCOC3)ncnc2c1
InChIInChI=1S/C15H19N3OS/c1-2-4-14-13(3-1)15(18-11-17-14)20-8-6-16-9-12-5-7-19-10-12/h1-4,11-12,16H,5-10H2
InChIKeyBTOAEPLUPHUQIU-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.35
Rot. Bonds6

About N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine

N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine (PubChem CID 62577012) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine
PubChem CID62577012
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine
SMILESc1ccc2c(SCCNCC3CCOC3)ncnc2c1
InChIInChI=1S/C15H19N3OS/c1-2-4-14-13(3-1)15(18-11-17-14)20-8-6-16-9-12-5-7-19-10-12/h1-4,11-12,16H,5-10H2
InChIKeyBTOAEPLUPHUQIU-UHFFFAOYSA-N
XLogP2.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluorophenyl)sulfanyl-N-(oxolan-3-ylmethyl)ethanamine
CID 55092520
1-(oxolan-3-yl)-N-(quinolin-4-ylmethyl)methanamine
CID 63852262
N-methyl-1-(oxolan-3-yl)-2-quinazolin-4-ylsulfanylethanamine
CID 104755502
N-(oxolan-3-ylmethyl)-2-pyrazin-2-ylsulfanylethanamine
CID 63381591
N-[(4-bromothiophen-2-yl)methyl]-2-quinazolin-4-ylsulfanylethanamine
CID 62577196
N-(2-quinazolin-4-ylsulfanylethyl)propan-2-amine
CID 61386125
4-fluoro-N-(2-quinazolin-4-ylsulfanylethyl)aniline
CID 62579327
N-(cyclohexylmethyl)-2-quinazolin-4-ylsulfanylacetamide
CID 2410535
3-quinazolin-4-ylsulfanylpropanoic acid
CID 723893
N-(2-methylpropyl)-4-quinazolin-4-ylsulfanylbutan-1-amine
CID 62576995
2-(2-bromophenoxy)-N-(oxolan-3-ylmethyl)ethanamine
CID 62598290
4-(3-bromopropylsulfanyl)quinazoline
CID 60895646

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine?
The IUPAC name of N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine (CID 62577012) is N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine is c1ccc2c(SCCNCC3CCOC3)ncnc2c1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine?
The InChIKey is BTOAEPLUPHUQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-2-4-14-13(3-1)15(18-11-17-14)20-8-6-16-9-12-5-7-19-10-12/h1-4,11-12,16H,5-10H2.
What are the key properties of N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine?
N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine has a molecular weight of 289.40 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine is sourced from PubChem (CID 62577012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).