2-[[6-chloro-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-4-yl]amino]ethanesulfonamide

C15H23ClN6O2S — CID 53258237

IUPAC2-[[6-chloro-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-4-yl]amino]ethanesulfonamide
SMILESCN1CCN(c2nc3c(c(NCCS(N)(=O)=O)n2)C=C(Cl)CC3)CC1
InChIInChI=1S/C15H23ClN6O2S/c1-21-5-7-22(8-6-21)15-19-13-3-2-11(16)10-12(13)14(20-15)18-4-9-25(17,23)24/h10H,2-9H2,1H3,(H2,17,23,24)(H,18,19,20)
InChIKeyNEPKAYXSXWWGAI-UHFFFAOYSA-N
MW386.91 g/mol
LogP0.45
Rot. Bonds5

About 2-[[6-chloro-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-4-yl]amino]ethanesulfonamide

2-[[6-chloro-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-4-yl]amino]ethanesulfonamide (PubChem CID 53258237) has the molecular formula C15H23ClN6O2S and a molecular weight of 386.91 g/mol. Its IUPAC name is 2-[[6-chloro-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-4-yl]amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[[6-chloro-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-4-yl]amino]ethanesulfonamide
PubChem CID53258237
Molecular FormulaC15H23ClN6O2S
Molecular Weight386.91 g/mol
Exact Mass386.13
IUPAC Name2-[[6-chloro-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-4-yl]amino]ethanesulfonamide
SMILESCN1CCN(c2nc3c(c(NCCS(N)(=O)=O)n2)C=C(Cl)CC3)CC1
InChIInChI=1S/C15H23ClN6O2S/c1-21-5-7-22(8-6-21)15-19-13-3-2-11(16)10-12(13)14(20-15)18-4-9-25(17,23)24/h10H,2-9H2,1H3,(H2,17,23,24)(H,18,19,20)
InChIKeyNEPKAYXSXWWGAI-UHFFFAOYSA-N
XLogP0.45
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-4-yl]amino]ethanesulfonamide?
The IUPAC name of 2-[[6-chloro-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-4-yl]amino]ethanesulfonamide (CID 53258237) is 2-[[6-chloro-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-4-yl]amino]ethanesulfonamide.
What is the SMILES notation for 2-[[6-chloro-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-4-yl]amino]ethanesulfonamide?
The canonical SMILES for 2-[[6-chloro-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-4-yl]amino]ethanesulfonamide is CN1CCN(c2nc3c(c(NCCS(N)(=O)=O)n2)C=C(Cl)CC3)CC1.
What is the InChIKey of 2-[[6-chloro-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-4-yl]amino]ethanesulfonamide?
The InChIKey is NEPKAYXSXWWGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN6O2S/c1-21-5-7-22(8-6-21)15-19-13-3-2-11(16)10-12(13)14(20-15)18-4-9-25(17,23)24/h10H,2-9H2,1H3,(H2,17,23,24)(H,18,19,20).
What are the key properties of 2-[[6-chloro-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-4-yl]amino]ethanesulfonamide?
2-[[6-chloro-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-4-yl]amino]ethanesulfonamide has a molecular weight of 386.91 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(4-methylpiperazin-1-yl)-7,8-dihydroquinazolin-4-yl]amino]ethanesulfonamide is sourced from PubChem (CID 53258237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).