[cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate

C19H25N5O6S — CID 155125456

IUPAC[cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate
SMILESCOc1cc2ncnc(N3CCC(N(C4CC4)S(=O)(=O)OC(N)=O)CC3)c2cc1OC
InChIInChI=1S/C19H25N5O6S/c1-28-16-9-14-15(10-17(16)29-2)21-11-22-18(14)23-7-5-13(6-8-23)24(12-3-4-12)31(26,27)30-19(20)25/h9-13H,3-8H2,1-2H3,(H2,20,25)
InChIKeyOSCVHNHZUVCMJT-UHFFFAOYSA-N
MW451.51 g/mol
LogP1.42
Rot. Bonds7

About [cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate

[cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate (PubChem CID 155125456) has the molecular formula C19H25N5O6S and a molecular weight of 451.51 g/mol. Its IUPAC name is [cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate.

Molecular Properties

Compound Name[cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate
PubChem CID155125456
Molecular FormulaC19H25N5O6S
Molecular Weight451.51 g/mol
Exact Mass451.15
IUPAC Name[cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate
SMILESCOc1cc2ncnc(N3CCC(N(C4CC4)S(=O)(=O)OC(N)=O)CC3)c2cc1OC
InChIInChI=1S/C19H25N5O6S/c1-28-16-9-14-15(10-17(16)29-2)21-11-22-18(14)23-7-5-13(6-8-23)24(12-3-4-12)31(26,27)30-19(20)25/h9-13H,3-8H2,1-2H3,(H2,20,25)
InChIKeyOSCVHNHZUVCMJT-UHFFFAOYSA-N
XLogP1.42
TPSA137.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate?
The IUPAC name of [cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate (CID 155125456) is [cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate.
What is the SMILES notation for [cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate?
The canonical SMILES for [cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate is COc1cc2ncnc(N3CCC(N(C4CC4)S(=O)(=O)OC(N)=O)CC3)c2cc1OC.
What is the InChIKey of [cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate?
The InChIKey is OSCVHNHZUVCMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O6S/c1-28-16-9-14-15(10-17(16)29-2)21-11-22-18(14)23-7-5-13(6-8-23)24(12-3-4-12)31(26,27)30-19(20)25/h9-13H,3-8H2,1-2H3,(H2,20,25).
What are the key properties of [cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate?
[cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate has a molecular weight of 451.51 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopropyl-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]sulfamoyl] carbamate is sourced from PubChem (CID 155125456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).