2-[2-[[2-(1H-pyrrol-2-yl)quinazolin-4-yl]amino]ethylsulfinyl]ethanol

C16H18N4O2S — CID 19392271

IUPAC2-[2-[[2-(1H-pyrrol-2-yl)quinazolin-4-yl]amino]ethylsulfinyl]ethanol
SMILESO=S(CCO)CCNc1nc(-c2ccc[nH]2)nc2ccccc12
InChIInChI=1S/C16H18N4O2S/c21-9-11-23(22)10-8-18-15-12-4-1-2-5-13(12)19-16(20-15)14-6-3-7-17-14/h1-7,17,21H,8-11H2,(H,18,19,20)
InChIKeyJRELUPWVNSERMK-UHFFFAOYSA-N
MW330.41 g/mol
LogP1.78
Rot. Bonds7

About 2-[2-[[2-(1H-pyrrol-2-yl)quinazolin-4-yl]amino]ethylsulfinyl]ethanol

2-[2-[[2-(1H-pyrrol-2-yl)quinazolin-4-yl]amino]ethylsulfinyl]ethanol (PubChem CID 19392271) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[2-[[2-(1H-pyrrol-2-yl)quinazolin-4-yl]amino]ethylsulfinyl]ethanol.

Molecular Properties

Compound Name2-[2-[[2-(1H-pyrrol-2-yl)quinazolin-4-yl]amino]ethylsulfinyl]ethanol
PubChem CID19392271
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-[2-[[2-(1H-pyrrol-2-yl)quinazolin-4-yl]amino]ethylsulfinyl]ethanol
SMILESO=S(CCO)CCNc1nc(-c2ccc[nH]2)nc2ccccc12
InChIInChI=1S/C16H18N4O2S/c21-9-11-23(22)10-8-18-15-12-4-1-2-5-13(12)19-16(20-15)14-6-3-7-17-14/h1-7,17,21H,8-11H2,(H,18,19,20)
InChIKeyJRELUPWVNSERMK-UHFFFAOYSA-N
XLogP1.78
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(1H-pyrrol-2-yl)quinazolin-4-yl]amino]ethylsulfinyl]ethanol?
The IUPAC name of 2-[2-[[2-(1H-pyrrol-2-yl)quinazolin-4-yl]amino]ethylsulfinyl]ethanol (CID 19392271) is 2-[2-[[2-(1H-pyrrol-2-yl)quinazolin-4-yl]amino]ethylsulfinyl]ethanol.
What is the SMILES notation for 2-[2-[[2-(1H-pyrrol-2-yl)quinazolin-4-yl]amino]ethylsulfinyl]ethanol?
The canonical SMILES for 2-[2-[[2-(1H-pyrrol-2-yl)quinazolin-4-yl]amino]ethylsulfinyl]ethanol is O=S(CCO)CCNc1nc(-c2ccc[nH]2)nc2ccccc12.
What is the InChIKey of 2-[2-[[2-(1H-pyrrol-2-yl)quinazolin-4-yl]amino]ethylsulfinyl]ethanol?
The InChIKey is JRELUPWVNSERMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c21-9-11-23(22)10-8-18-15-12-4-1-2-5-13(12)19-16(20-15)14-6-3-7-17-14/h1-7,17,21H,8-11H2,(H,18,19,20).
What are the key properties of 2-[2-[[2-(1H-pyrrol-2-yl)quinazolin-4-yl]amino]ethylsulfinyl]ethanol?
2-[2-[[2-(1H-pyrrol-2-yl)quinazolin-4-yl]amino]ethylsulfinyl]ethanol has a molecular weight of 330.41 g/mol, XLogP of 1.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(1H-pyrrol-2-yl)quinazolin-4-yl]amino]ethylsulfinyl]ethanol is sourced from PubChem (CID 19392271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).