2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline

C17H24N4O4S — CID 69382684

IUPAC2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline
SMILESCOc1ccc2cnc(OC3CCC(NS(=O)(=O)N(C)C)CC3)nc2c1
InChIInChI=1S/C17H24N4O4S/c1-21(2)26(22,23)20-13-5-8-14(9-6-13)25-17-18-11-12-4-7-15(24-3)10-16(12)19-17/h4,7,10-11,13-14,20H,5-6,8-9H2,1-3H3
InChIKeyHGPDBLKPIKZKRH-UHFFFAOYSA-N
MW380.47 g/mol
LogP1.72
Rot. Bonds6

About 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline

2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline (PubChem CID 69382684) has the molecular formula C17H24N4O4S and a molecular weight of 380.47 g/mol. Its IUPAC name is 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline.

Molecular Properties

Compound Name2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline
PubChem CID69382684
Molecular FormulaC17H24N4O4S
Molecular Weight380.47 g/mol
Exact Mass380.15
IUPAC Name2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline
SMILESCOc1ccc2cnc(OC3CCC(NS(=O)(=O)N(C)C)CC3)nc2c1
InChIInChI=1S/C17H24N4O4S/c1-21(2)26(22,23)20-13-5-8-14(9-6-13)25-17-18-11-12-4-7-15(24-3)10-16(12)19-17/h4,7,10-11,13-14,20H,5-6,8-9H2,1-3H3
InChIKeyHGPDBLKPIKZKRH-UHFFFAOYSA-N
XLogP1.72
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline?
The IUPAC name of 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline (CID 69382684) is 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline.
What is the SMILES notation for 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline?
The canonical SMILES for 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline is COc1ccc2cnc(OC3CCC(NS(=O)(=O)N(C)C)CC3)nc2c1.
What is the InChIKey of 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline?
The InChIKey is HGPDBLKPIKZKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O4S/c1-21(2)26(22,23)20-13-5-8-14(9-6-13)25-17-18-11-12-4-7-15(24-3)10-16(12)19-17/h4,7,10-11,13-14,20H,5-6,8-9H2,1-3H3.
What are the key properties of 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline?
2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline has a molecular weight of 380.47 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylsulfamoylamino)cyclohexyl]oxy-7-methoxyquinazoline is sourced from PubChem (CID 69382684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).