4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate

C14H18N5O4S- — CID 163462958

IUPAC4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate
SMILESCOc1cc2nc(N3CCN(S(=O)[O-])CC3)nc(N)c2cc1OC
InChIInChI=1S/C14H19N5O4S/c1-22-11-7-9-10(8-12(11)23-2)16-14(17-13(9)15)18-3-5-19(6-4-18)24(20)21/h7-8H,3-6H2,1-2H3,(H,20,21)(H2,15,16,17)/p-1
InChIKeyCGUHYMGTLOHDEN-UHFFFAOYSA-M
MW352.40 g/mol
LogP0.15
Rot. Bonds4

About 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate

4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate (PubChem CID 163462958) has the molecular formula C14H18N5O4S- and a molecular weight of 352.40 g/mol. Its IUPAC name is 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate.

Molecular Properties

Compound Name4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate
PubChem CID163462958
Molecular FormulaC14H18N5O4S-
Molecular Weight352.40 g/mol
Exact Mass352.11
IUPAC Name4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate
SMILESCOc1cc2nc(N3CCN(S(=O)[O-])CC3)nc(N)c2cc1OC
InChIInChI=1S/C14H19N5O4S/c1-22-11-7-9-10(8-12(11)23-2)16-14(17-13(9)15)18-3-5-19(6-4-18)24(20)21/h7-8H,3-6H2,1-2H3,(H,20,21)(H2,15,16,17)/p-1
InChIKeyCGUHYMGTLOHDEN-UHFFFAOYSA-M
XLogP0.15
TPSA116.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 163462957
CID 163462957
6,7-dimethoxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]quinazolin-4-amine
CID 3076908
2-(4-cyclopropylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133299285
1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidine-4-thione
CID 14231098
2-[4-(dimethylamino)piperidin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 3031652
2-(4-ethylpiperidin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 166201599
2-[4-(2-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
CID 71683147
2-(4-but-3-ynylpiperazin-1-yl)-6,7-dimethoxyquinazolin-4-amine
CID 133453712
2-N-[[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]methyl]-6,7-dimethoxyquinazoline-2,4-diamine
CID 44532808
2-(3-azabicyclo[3.2.2]nonan-3-yl)-6,7-dimethoxyquinazolin-4-amine
CID 134117178
5-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-hydroxy-5-oxopentanoic acid
CID 91810601
6,7-dimethoxy-2-[4-[4-(4-methylsulfonylphenyl)phenyl]sulfonylpiperazin-1-yl]quinazolin-4-amine;hydrochloride
CID 11433541

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate?
The IUPAC name of 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate (CID 163462958) is 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate.
What is the SMILES notation for 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate?
The canonical SMILES for 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate is COc1cc2nc(N3CCN(S(=O)[O-])CC3)nc(N)c2cc1OC.
What is the InChIKey of 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate?
The InChIKey is CGUHYMGTLOHDEN-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H19N5O4S/c1-22-11-7-9-10(8-12(11)23-2)16-14(17-13(9)15)18-3-5-19(6-4-18)24(20)21/h7-8H,3-6H2,1-2H3,(H,20,21)(H2,15,16,17)/p-1.
What are the key properties of 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate?
4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate has a molecular weight of 352.40 g/mol, XLogP of 0.15, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazine-1-sulfinate is sourced from PubChem (CID 163462958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).