2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine

C14H19N3OS — CID 62577011

IUPAC2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine
SMILESCCOCCNCCSc1ncnc2ccccc12
InChIInChI=1S/C14H19N3OS/c1-2-18-9-7-15-8-10-19-14-12-5-3-4-6-13(12)16-11-17-14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyNMBFQHIFLGZPHH-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.35
Rot. Bonds8

About 2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine

2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine (PubChem CID 62577011) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine
PubChem CID62577011
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine
SMILESCCOCCNCCSc1ncnc2ccccc12
InChIInChI=1S/C14H19N3OS/c1-2-18-9-7-15-8-10-19-14-12-5-3-4-6-13(12)16-11-17-14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyNMBFQHIFLGZPHH-UHFFFAOYSA-N
XLogP2.35
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
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

N-(2-quinazolin-4-ylsulfanylethyl)propan-2-amine
CID 61386125
4-(2-phenoxyethylsulfanyl)quinazoline
CID 78761284
N-(2-methylpropyl)-4-quinazolin-4-ylsulfanylbutan-1-amine
CID 62576995
4-fluoro-N-(2-quinazolin-4-ylsulfanylethyl)aniline
CID 62579327
4-[2-(2-methoxyphenoxy)ethylsulfanyl]quinazoline
CID 78900458
N-[(4-bromothiophen-2-yl)methyl]-2-quinazolin-4-ylsulfanylethanamine
CID 62577196
3-methyl-N-(2-quinazolin-4-ylsulfanylethyl)aniline
CID 62576801
N-(oxolan-3-ylmethyl)-2-quinazolin-4-ylsulfanylethanamine
CID 62577012
4-(3-bromopropylsulfanyl)quinazoline
CID 60895646
3-quinazolin-4-ylsulfanylpropan-1-amine
CID 60895823
4-(2-methylsulfonylethylsulfanyl)quinazoline
CID 47096866
N-methyl-1-quinazolin-4-ylsulfanylbutan-2-amine
CID 64632868

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine?
The IUPAC name of 2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine (CID 62577011) is 2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine.
What is the SMILES notation for 2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine?
The canonical SMILES for 2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine is CCOCCNCCSc1ncnc2ccccc12.
What is the InChIKey of 2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine?
The InChIKey is NMBFQHIFLGZPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-2-18-9-7-15-8-10-19-14-12-5-3-4-6-13(12)16-11-17-14/h3-6,11,15H,2,7-10H2,1H3.
What are the key properties of 2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine?
2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine has a molecular weight of 277.39 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-quinazolin-4-ylsulfanylethyl)ethanamine is sourced from PubChem (CID 62577011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).