2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

C18H22N4OS — CID 50979869

IUPAC2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCOCCN(Cc1cccs1)c1nc(CCN)nc2ccccc12
InChIInChI=1S/C18H22N4OS/c1-23-11-10-22(13-14-5-4-12-24-14)18-15-6-2-3-7-16(15)20-17(21-18)8-9-19/h2-7,12H,8-11,13,19H2,1H3
InChIKeyZGNBGMNQEBINSG-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.85
Rot. Bonds8

About 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine

2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (PubChem CID 50979869) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
PubChem CID50979869
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
SMILESCOCCN(Cc1cccs1)c1nc(CCN)nc2ccccc12
InChIInChI=1S/C18H22N4OS/c1-23-11-10-22(13-14-5-4-12-24-14)18-15-6-2-3-7-16(15)20-17(21-18)8-9-19/h2-7,12H,8-11,13,19H2,1H3
InChIKeyZGNBGMNQEBINSG-UHFFFAOYSA-N
XLogP2.85
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine (CID 50979869) is 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is COCCN(Cc1cccs1)c1nc(CCN)nc2ccccc12.
What is the InChIKey of 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
The InChIKey is ZGNBGMNQEBINSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-23-11-10-22(13-14-5-4-12-24-14)18-15-6-2-3-7-16(15)20-17(21-18)8-9-19/h2-7,12H,8-11,13,19H2,1H3.
What are the key properties of 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine?
2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine has a molecular weight of 342.47 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 50979869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).